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

C13H10ClN3O2S — CID 28553639

IUPAC4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-12-7-10(16)3-6-13(12)20(18,19)17-11-4-1-9(8-15)2-5-11/h1-7,17H,16H2
InChIKeyONGWYXQLALXDEK-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.59
Rot. Bonds3

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

4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide (PubChem CID 28553639) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
PubChem CID28553639
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C13H10ClN3O2S/c14-12-7-10(16)3-6-13(12)20(18,19)17-11-4-1-9(8-15)2-5-11/h1-7,17H,16H2
InChIKeyONGWYXQLALXDEK-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

4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
5-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 65201995
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide (CID 28553639) is 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(N)cc2Cl)cc1.
What is the InChIKey of 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide?
The InChIKey is ONGWYXQLALXDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-12-7-10(16)3-6-13(12)20(18,19)17-11-4-1-9(8-15)2-5-11/h1-7,17H,16H2.
What are the key properties of 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide?
4-amino-2-chloro-N-(4-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 4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 28553639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).