N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide

C14H13N3O2S — CID 106996452

IUPACN-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C14H13N3O2S/c1-10-8-11(9-15)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)16/h2-8,17H,16H2,1H3
InChIKeyIIYZRSWVLWGZLN-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.25
Rot. Bonds3

About N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide

N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106996452) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106996452
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C14H13N3O2S/c1-10-8-11(9-15)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)16/h2-8,17H,16H2,1H3
InChIKeyIIYZRSWVLWGZLN-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
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylbenzenesulfonamide
CID 167937246
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide (CID 106996452) is N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is IIYZRSWVLWGZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-8-11(9-15)6-7-14(10)20(18,19)17-13-5-3-2-4-12(13)16/h2-8,17H,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide?
N-(2-aminophenyl)-4-cyano-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 N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).