2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide

C12H14F2N2O3S — CID 71997271

IUPAC2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O3S/c13-8-4-2-6-10(11(8)14)20(18,19)16-9-5-1-3-7(9)12(15)17/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17)
InChIKeyQCKFYONHOTZIEV-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.90
Rot. Bonds4

About 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide

2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 71997271) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID71997271
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O3S/c13-8-4-2-6-10(11(8)14)20(18,19)16-9-5-1-3-7(9)12(15)17/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17)
InChIKeyQCKFYONHOTZIEV-UHFFFAOYSA-N
XLogP0.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,4-trifluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 71854613
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353
trans-(1R,2R)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001354
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978995
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 96514771
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide (CID 71997271) is 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is QCKFYONHOTZIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c13-8-4-2-6-10(11(8)14)20(18,19)16-9-5-1-3-7(9)12(15)17/h2,4,6-7,9,16H,1,3,5H2,(H2,15,17).
What are the key properties of 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide?
2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 71997271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).