3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H12ClNO2S2 — CID 21110297

IUPAC3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ccsc1
InChIInChI=1S/C12H12ClNO2S2/c1-9-11(13)3-2-4-12(9)18(15,16)14-7-10-5-6-17-8-10/h2-6,8,14H,7H2,1H3
InChIKeyXHBBSJASNSNOOT-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 21110297) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID21110297
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ccsc1
InChIInChI=1S/C12H12ClNO2S2/c1-9-11(13)3-2-4-12(9)18(15,16)14-7-10-5-6-17-8-10/h2-6,8,14H,7H2,1H3
InChIKeyXHBBSJASNSNOOT-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 21110297) is 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1ccsc1.
What is the InChIKey of 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is XHBBSJASNSNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-9-11(13)3-2-4-12(9)18(15,16)14-7-10-5-6-17-8-10/h2-6,8,14H,7H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 21110297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).