4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide

C14H13N3O2S — CID 43257695

IUPAC4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-8-12(16)4-7-14(10)20(18,19)17-13-5-2-11(9-15)3-6-13/h2-8,17H,16H2,1H3
InChIKeyIBBSAULLBNDZBL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.25
Rot. Bonds3

About 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide

4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide (PubChem CID 43257695) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
PubChem CID43257695
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-8-12(16)4-7-14(10)20(18,19)17-13-5-2-11(9-15)3-6-13/h2-8,17H,16H2,1H3
InChIKeyIBBSAULLBNDZBL-UHFFFAOYSA-N
XLogP2.25
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.25
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

N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
5-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 65201995
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996490
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide (CID 43257695) is 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The InChIKey is IBBSAULLBNDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-8-12(16)4-7-14(10)20(18,19)17-13-5-2-11(9-15)3-6-13/h2-8,17H,16H2,1H3.
What are the key properties of 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43257695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).