4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride

C11H14ClNO3S2 — CID 79808886

IUPAC4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NC2CCCC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-9(6-17-11(7)18(12,15)16)10(14)13-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyNUMPXXOSZVLKNW-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.66
Rot. Bonds3

About 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride

4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride (PubChem CID 79808886) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
PubChem CID79808886
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NC2CCCC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-9(6-17-11(7)18(12,15)16)10(14)13-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyNUMPXXOSZVLKNW-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride 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

3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
CID 79807645
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79808782
3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65397012
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
CID 17067296
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride (CID 79808886) is 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride is Cc1c(C(=O)NC2CCCC2)csc1S(=O)(=O)Cl.
What is the InChIKey of 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride?
The InChIKey is NUMPXXOSZVLKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-7-9(6-17-11(7)18(12,15)16)10(14)13-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride?
4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 79808886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).