2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide

C13H10ClN3O2S — CID 28542938

IUPAC2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H10ClN3O2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2
InChIKeySHPJMUUETDIYCG-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide

2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide (PubChem CID 28542938) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
PubChem CID28542938
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H10ClN3O2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2
InChIKeySHPJMUUETDIYCG-UHFFFAOYSA-N
XLogP2.59
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
CID 64914782
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
3-amino-N-(2-cyanophenyl)-4,5-dimethylbenzenesulfonamide
CID 28522562
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide (CID 28542938) is 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide is N#Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide?
The InChIKey is SHPJMUUETDIYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-10-5-6-13(11(16)7-10)20(18,19)17-12-4-2-1-3-9(12)8-15/h1-7,17H,16H2.
What are the key properties of 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 28542938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).