3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride

C14H16ClNO3S — CID 106173095

IUPAC3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1=CCCC1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H16ClNO3S/c15-20(18,19)13-7-3-6-12(10-13)14(17)16-9-8-11-4-1-2-5-11/h3-4,6-7,10H,1-2,5,8-9H2,(H,16,17)
InChIKeyKOIUHETWRAOKLK-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.84
Rot. Bonds5

About 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride

3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride (PubChem CID 106173095) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
PubChem CID106173095
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1=CCCC1)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H16ClNO3S/c15-20(18,19)13-7-3-6-12(10-13)14(17)16-9-8-11-4-1-2-5-11/h3-4,6-7,10H,1-2,5,8-9H2,(H,16,17)
InChIKeyKOIUHETWRAOKLK-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl 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-bromo-5-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173076
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 109063514
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide
CID 106163893
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride (CID 106173095) is 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride is O=C(NCCC1=CCCC1)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The InChIKey is KOIUHETWRAOKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c15-20(18,19)13-7-3-6-12(10-13)14(17)16-9-8-11-4-1-2-5-11/h3-4,6-7,10H,1-2,5,8-9H2,(H,16,17).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride?
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride has a molecular weight of 313.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 106173095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).