Structural formula
| Business number | 03L4 |
|---|---|
| Molecular formula | C13H12N2O3S |
| Molecular weight | 276.31 |
| label |
N-[(4-aminobenzene)sulfonyl]phenoxamine, phenylsulfonamide, benzoyl sulfonamide, sulfabenzoyl, N-(4-Aminobenzenesulfonyl)benzamide, Heterocyclic compounds |
Numbering system
CAS number:127-71-9
MDL number:MFCD00044890
EINECS number:204-859-4
RTECS number:CV5802500
BRN number:2139003
PubChem number:24899854
Physical property data
1. Melting point (℃):180-184
2. Water-soluble (g/L,20 ºC): 0.3
Toxicological data
1, acute toxicity: mice intravenously injected LD5O：320mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 72.29
2. Molar volume (m3/mol）：201.7
3. isotonic specific volume (90.2K):558.5
4. Surface Tension (dyne/cm):58.7
5. Polarizability（10-24cm3):28.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 97.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 402
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
PAN> Polarizability（10-24cm3): 28.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 97.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 402
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
