2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H16FNO4S — CID 64818376

IUPAC2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-8-5-6-9(14)7-12(8)20(18,19)15-11-4-2-3-10(11)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17)
InChIKeyDFYXDIMVAVONIU-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.67
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 64818376) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID64818376
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-8-5-6-9(14)7-12(8)20(18,19)15-11-4-2-3-10(11)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17)
InChIKeyDFYXDIMVAVONIU-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 64818376) is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DFYXDIMVAVONIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-8-5-6-9(14)7-12(8)20(18,19)15-11-4-2-3-10(11)13(16)17/h5-7,10-11,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).