1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H16FNO4S — CID 43361594

IUPAC1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C13H16FNO4S/c1-9-4-5-10(8-11(9)14)20(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyPBTYWIKTWFBLTK-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.81
Rot. Bonds4

About 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43361594) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43361594
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C13H16FNO4S/c1-9-4-5-10(8-11(9)14)20(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyPBTYWIKTWFBLTK-UHFFFAOYSA-N
XLogP1.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
1-[[(3-fluoro-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450133
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 62525308

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43361594) is 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PBTYWIKTWFBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-9-4-5-10(8-11(9)14)20(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43361594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).