3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H13F2NO4S — CID 66030948

IUPAC3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H13F2NO4S/c13-9-2-1-3-10(14)11(9)20(18,19)15-8-5-4-7(6-8)12(16)17/h1-3,7-8,15H,4-6H2,(H,16,17)
InChIKeyQZRQPSYDGHSWCS-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.50
Rot. Bonds4

About 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66030948) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66030948
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H13F2NO4S/c13-9-2-1-3-10(14)11(9)20(18,19)15-8-5-4-7(6-8)12(16)17/h1-3,7-8,15H,4-6H2,(H,16,17)
InChIKeyQZRQPSYDGHSWCS-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
3-[(2,6-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042404
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
3-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030564
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66030948) is 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QZRQPSYDGHSWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c13-9-2-1-3-10(14)11(9)20(18,19)15-8-5-4-7(6-8)12(16)17/h1-3,7-8,15H,4-6H2,(H,16,17).
What are the key properties of 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 305.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).