4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride

C11H14ClNO3S2 — CID 65371125

IUPAC4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESO=C(NCC1CCCC1)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S2/c12-18(15,16)10-5-9(7-17-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyXQTWOCSHRODRTC-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.60
Rot. Bonds4

About 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride

4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 65371125) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID65371125
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESO=C(NCC1CCCC1)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S2/c12-18(15,16)10-5-9(7-17-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyXQTWOCSHRODRTC-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopentylmethylcarbamoyl)thiophene-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

4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65396129
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
N-(pyrrolidin-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 119510332

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride (CID 65371125) is 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride is O=C(NCC1CCCC1)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is XQTWOCSHRODRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c12-18(15,16)10-5-9(7-17-10)11(14)13-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14).
What are the key properties of 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65371125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).