1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H13ClFNO4S — CID 43361609

IUPAC1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C12H13ClFNO4S/c13-9-7-8(14)3-4-10(9)20(18,19)15-12(11(16)17)5-1-2-6-12/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyRHWJGEHVDJAKCH-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.15
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43361609) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43361609
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C12H13ClFNO4S/c13-9-7-8(14)3-4-10(9)20(18,19)15-12(11(16)17)5-1-2-6-12/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyRHWJGEHVDJAKCH-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(2,5-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124069
1-[(4-fluoro-2-methylphenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124068
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43245132
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164226
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43361609) is 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(F)cc2Cl)CCCC1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RHWJGEHVDJAKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c13-9-7-8(14)3-4-10(9)20(18,19)15-12(11(16)17)5-1-2-6-12/h3-4,7,15H,1-2,5-6H2,(H,16,17).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43361609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).