3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H13ClFNO4S — CID 66031557

IUPAC3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H13ClFNO4S/c13-10-6-9(3-4-11(10)14)20(18,19)15-8-2-1-7(5-8)12(16)17/h3-4,6-8,15H,1-2,5H2,(H,16,17)
InChIKeyNHAWJBBXFRSEKK-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.01
Rot. Bonds4

About 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031557) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031557
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H13ClFNO4S/c13-10-6-9(3-4-11(10)14)20(18,19)15-8-2-1-7(5-8)12(16)17/h3-4,6-8,15H,1-2,5H2,(H,16,17)
InChIKeyNHAWJBBXFRSEKK-UHFFFAOYSA-N
XLogP2.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid 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-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
3-[(4-chloro-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042577
3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63043849
4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 90786256
3-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030564
3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032166
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321577

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66031557) is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is NHAWJBBXFRSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c13-10-6-9(3-4-11(10)14)20(18,19)15-8-2-1-7(5-8)12(16)17/h3-4,6-8,15H,1-2,5H2,(H,16,17).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).