4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

C12H12ClNO4S — CID 79216807

IUPAC4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C12H12ClNO4S/c13-9-2-1-3-11(7-9)19(17,18)14-10-5-4-8(6-10)12(15)16/h1-5,7-8,10,14H,6H2,(H,15,16)
InChIKeyUECMFKMYXFYRCH-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.65
Rot. Bonds4

About 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216807) has the molecular formula C12H12ClNO4S and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216807
Molecular FormulaC12H12ClNO4S
Molecular Weight301.75 g/mol
Exact Mass301.02
IUPAC Name4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C12H12ClNO4S/c13-9-2-1-3-11(7-9)19(17,18)14-10-5-4-8(6-10)12(15)16/h1-5,7-8,10,14H,6H2,(H,15,16)
InChIKeyUECMFKMYXFYRCH-UHFFFAOYSA-N
XLogP1.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(sulfamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 114958954
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
4-[(3-bromothiophen-2-yl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216596
(3-chlorophenyl)sulfonylurea
CID 117060605
4-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191150
4-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191303
(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 91046890
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216807) is 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is UECMFKMYXFYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S/c13-9-2-1-3-11(7-9)19(17,18)14-10-5-4-8(6-10)12(15)16/h1-5,7-8,10,14H,6H2,(H,15,16).
What are the key properties of 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 301.75 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).