N-(3-aminophenyl)-2-methylbenzenesulfonamide

C13H14N2O2S — CID 39362189

IUPACN-(3-aminophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H14N2O2S/c1-10-5-2-3-8-13(10)18(16,17)15-12-7-4-6-11(14)9-12/h2-9,15H,14H2,1H3
InChIKeyVDOSLXVUGNUDGJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.38
Rot. Bonds3

About N-(3-aminophenyl)-2-methylbenzenesulfonamide

N-(3-aminophenyl)-2-methylbenzenesulfonamide (PubChem CID 39362189) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-methylbenzenesulfonamide
PubChem CID39362189
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(3-aminophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H14N2O2S/c1-10-5-2-3-8-13(10)18(16,17)15-12-7-4-6-11(14)9-12/h2-9,15H,14H2,1H3
InChIKeyVDOSLXVUGNUDGJ-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(3-aminophenyl)-4-chloronaphthalene-1-sulfonamide
CID 67893138

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-2-methylbenzenesulfonamide (CID 39362189) is N-(3-aminophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-methylbenzenesulfonamide?
The InChIKey is VDOSLXVUGNUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-5-2-3-8-13(10)18(16,17)15-12-7-4-6-11(14)9-12/h2-9,15H,14H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-methylbenzenesulfonamide?
N-(3-aminophenyl)-2-methylbenzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39362189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).