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

C15H18N2O2S — CID 39395711

IUPACN-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,16H2,1H3
InChIKeyHPBZUOFLVXFEAI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds5

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

N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide (PubChem CID 39395711) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
PubChem CID39395711
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,16H2,1H3
InChIKeyHPBZUOFLVXFEAI-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide 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

N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
phenyl N-(3-amino-4-methylphenyl)sulfamate
CID 175312801
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide (CID 39395711) is N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide is Cc1ccc(NS(=O)(=O)CCc2ccccc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide?
The InChIKey is HPBZUOFLVXFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10,16H2,1H3.
What are the key properties of N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide?
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.56, 5 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-phenylethanesulfonamide is sourced from PubChem (CID 39395711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).