2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide

C14H13N3O2S — CID 43452384

IUPAC2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O2S/c1-10-4-2-7-13(16)14(10)20(18,19)17-12-6-3-5-11(8-12)9-15/h2-8,17H,16H2,1H3
InChIKeyQPWYSCJMZMVSIA-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide

2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide (PubChem CID 43452384) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
PubChem CID43452384
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O2S/c1-10-4-2-7-13(16)14(10)20(18,19)17-12-6-3-5-11(8-12)9-15/h2-8,17H,16H2,1H3
InChIKeyQPWYSCJMZMVSIA-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

3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide (CID 43452384) is 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide?
The InChIKey is QPWYSCJMZMVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-4-2-7-13(16)14(10)20(18,19)17-12-6-3-5-11(8-12)9-15/h2-8,17H,16H2,1H3.
What are the key properties of 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide?
2-amino-N-(3-cyanophenyl)-6-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 2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).