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

C14H16N2O2S — CID 39375386

IUPACN-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C)cc1N
InChIInChI=1S/C14H16N2O2S/c1-10-7-8-12(9-13(10)15)16-19(17,18)14-6-4-3-5-11(14)2/h3-9,16H,15H2,1-2H3
InChIKeyGVKSJFBVWROXMY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds3

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

N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 39375386) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID39375386
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C)cc1N
InChIInChI=1S/C14H16N2O2S/c1-10-7-8-12(9-13(10)15)16-19(17,18)14-6-4-3-5-11(14)2/h3-9,16H,15H2,1-2H3
InChIKeyGVKSJFBVWROXMY-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
N-(3-amino-4-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343951
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
CID 110723878
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide (CID 39375386) is N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is GVKSJFBVWROXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-7-8-12(9-13(10)15)16-19(17,18)14-6-4-3-5-11(14)2/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide?
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39375386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).