(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide

C20H21F3N2O3S — CID 146120120

IUPAC(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-25(2)20(26)17-11-15(10-16(17)12-3-5-13(21)6-4-12)24-29(27,28)19-8-7-14(22)9-18(19)23/h3-9,15-17,24H,10-11H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyCHGNMDBNMMQPLG-BBWFWOEESA-N
MW426.46 g/mol
LogP3.03
Rot. Bonds5

About (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide

(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 146120120) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID146120120
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-25(2)20(26)17-11-15(10-16(17)12-3-5-13(21)6-4-12)24-29(27,28)19-8-7-14(22)9-18(19)23/h3-9,15-17,24H,10-11H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyCHGNMDBNMMQPLG-BBWFWOEESA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide with MolForge

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Related Compounds

(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120126
N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
CID 146120096
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide (CID 146120120) is (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is CHGNMDBNMMQPLG-BBWFWOEESA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-25(2)20(26)17-11-15(10-16(17)12-3-5-13(21)6-4-12)24-29(27,28)19-8-7-14(22)9-18(19)23/h3-9,15-17,24H,10-11H2,1-2H3/t15-,16+,17-/m0/s1.
What are the key properties of (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide?
(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 146120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).