4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide

C16H19F2NO2S — CID 22745652

IUPAC4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(C3CCCC3)CCC2)cc1F
InChIInChI=1S/C16H19F2NO2S/c17-14-8-11(9-15(18)16(14)22(19,20)21)13-7-3-6-12(13)10-4-1-2-5-10/h8-10H,1-7H2,(H2,19,20,21)
InChIKeyFMBZLBMFOHEGNY-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.74
Rot. Bonds3

About 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide

4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide (PubChem CID 22745652) has the molecular formula C16H19F2NO2S and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide
PubChem CID22745652
Molecular FormulaC16H19F2NO2S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(C2=C(C3CCCC3)CCC2)cc1F
InChIInChI=1S/C16H19F2NO2S/c17-14-8-11(9-15(18)16(14)22(19,20)21)13-7-3-6-12(13)10-4-1-2-5-10/h8-10H,1-7H2,(H2,19,20,21)
InChIKeyFMBZLBMFOHEGNY-UHFFFAOYSA-N
XLogP3.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
CID 22746653
4-[2-(3,4-dimethylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22747318
4-(4-cyclopentyl-3-sulfanylphenyl)-2,6-difluorobenzenesulfonamide
CID 91058771
2,6-difluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)cyclopenten-1-yl]benzenesulfonamide
CID 22746424
4-[2-(3-cyano-4-methylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22746882
2,4,6-trifluorobenzenesulfonamide
CID 2778291
4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 10616776
4-cyclopentyl-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754719
4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide
CID 91461103
2,6-difluoro-4-[4-(3-fluorophenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745720
4-[4-(3,5-dimethylphenyl)-5-oxo-2H-furan-3-yl]-2,6-difluorobenzenesulfonamide
CID 22746313
4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
CID 139972080

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide (CID 22745652) is 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(C2=C(C3CCCC3)CCC2)cc1F.
What is the InChIKey of 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide?
The InChIKey is FMBZLBMFOHEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2S/c17-14-8-11(9-15(18)16(14)22(19,20)21)13-7-3-6-12(13)10-4-1-2-5-10/h8-10H,1-7H2,(H2,19,20,21).
What are the key properties of 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide?
4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide has a molecular weight of 327.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22745652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).