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

C13H14ClNO2S2 — CID 21110298

IUPAC3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C13H14ClNO2S2/c1-10-12(14)5-2-6-13(10)19(16,17)15-8-7-11-4-3-9-18-11/h2-6,9,15H,7-8H2,1H3
InChIKeyYCQCETMGKHNLMA-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.23
Rot. Bonds5

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

3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 21110298) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID21110298
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC Name3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C13H14ClNO2S2/c1-10-12(14)5-2-6-13(10)19(16,17)15-8-7-11-4-3-9-18-11/h2-6,9,15H,7-8H2,1H3
InChIKeyYCQCETMGKHNLMA-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)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-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758706
3-chloro-2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522756
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
3-amino-2-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 115993312
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 21110298) is 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is YCQCETMGKHNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c1-10-12(14)5-2-6-13(10)19(16,17)15-8-7-11-4-3-9-18-11/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 315.85 g/mol, XLogP of 3.23, 5 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-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 21110298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).