3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

C19H19NO2S2 — CID 90597078

IUPAC3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1C
InChIInChI=1S/C19H19NO2S2/c1-14-7-8-18(11-15(14)2)24(21,22)20-12-16-5-3-4-6-19(16)17-9-10-23-13-17/h3-11,13,20H,12H2,1-2H3
InChIKeyXHIDMQHNEAAIEN-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.51
Rot. Bonds5

About 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (PubChem CID 90597078) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
PubChem CID90597078
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1C
InChIInChI=1S/C19H19NO2S2/c1-14-7-8-18(11-15(14)2)24(21,22)20-12-16-5-3-4-6-19(16)17-9-10-23-13-17/h3-11,13,20H,12H2,1-2H3
InChIKeyXHIDMQHNEAAIEN-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]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

4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 72719573
3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277014
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596877
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
3-phenoxy-N-[(2-thiophen-3-ylphenyl)methyl]propane-1-sulfonamide
CID 90597161

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (CID 90597078) is 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is XHIDMQHNEAAIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-14-7-8-18(11-15(14)2)24(21,22)20-12-16-5-3-4-6-19(16)17-9-10-23-13-17/h3-11,13,20H,12H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90597078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).