3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C16H20N2O2S — CID 61125345

IUPAC3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccc(N)c2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-7-9-14(10-8-11)13(3)18-21(19,20)16-6-4-5-15(17)12(16)2/h4-10,13,18H,17H2,1-3H3
InChIKeyUZQQAQMHHKBVLQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 61125345) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID61125345
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccc(N)c2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-7-9-14(10-8-11)13(3)18-21(19,20)16-6-4-5-15(17)12(16)2/h4-10,13,18H,17H2,1-3H3
InChIKeyUZQQAQMHHKBVLQ-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide 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-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 54955050
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 61125345) is 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cccc(N)c2C)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is UZQQAQMHHKBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-7-9-14(10-8-11)13(3)18-21(19,20)16-6-4-5-15(17)12(16)2/h4-10,13,18H,17H2,1-3H3.
What are the key properties of 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).