N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide

C14H19F2NO2S — CID 69112697

IUPACN-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-12(14)11-7-6-10(15)8-13(11)16/h6-9,12,14,17H,3-5H2,1-2H3/t12-,14-/m1/s1
InChIKeyDZWMYCDZJUPSIM-TZMCWYRMSA-N
MW303.37 g/mol
LogP2.93
Rot. Bonds4

About N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide

N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 69112697) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID69112697
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-12(14)11-7-6-10(15)8-13(11)16/h6-9,12,14,17H,3-5H2,1-2H3/t12-,14-/m1/s1
InChIKeyDZWMYCDZJUPSIM-TZMCWYRMSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

LY 392098
CID 9927707
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
N-[2-(4-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 807610
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000636
(R,R) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-cyclopentyl]-amide
CID 10000637
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
(+,-) Cis-Propane-2-sulfonic Acid [2-(3-fluoro-phenyl)-cyclopentyl]-amide
CID 10935011
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953
(+,-) Cis-propane-2-sulfonic Acid (2-p-chlorophenyl-cyclopentyl)-amide
CID 11033972
(+,-) Cis-propane-2-sulfonic Acid (2-p-bromophenyl-cyclopentyl)-amide
CID 11121532

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide (CID 69112697) is N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is DZWMYCDZJUPSIM-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-12(14)11-7-6-10(15)8-13(11)16/h6-9,12,14,17H,3-5H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide?
N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 303.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 69112697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).