N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

C15H15N3O2S — CID 106996459

IUPACN-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1N
InChIInChI=1S/C15H15N3O2S/c1-10-3-5-13(8-14(10)17)18-21(19,20)15-6-4-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3
InChIKeyUHDAKCNFRCGEAH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106996459) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106996459
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1N
InChIInChI=1S/C15H15N3O2S/c1-10-3-5-13(8-14(10)17)18-21(19,20)15-6-4-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3
InChIKeyUHDAKCNFRCGEAH-UHFFFAOYSA-N
XLogP2.56
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.56
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-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
4-cyano-N-(3-formylphenyl)-2-methylbenzenesulfonamide
CID 106998702
4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918695
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (CID 106996459) is N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is UHDAKCNFRCGEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-5-13(8-14(10)17)18-21(19,20)15-6-4-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3.
What are the key properties of N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).