4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide

C20H24F2N2O2S — CID 129013622

IUPAC4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
SMILESCN(C)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C20H24F2N2O2S/c1-24(2)13-14-3-7-17(11-14)23-27(25,26)18-8-4-15(5-9-18)19-10-6-16(21)12-20(19)22/h4-6,8-10,12,14,17,23H,3,7,11,13H2,1-2H3/t14-,17+/m1/s1
InChIKeyXLDMOAWRCWIXCZ-PBHICJAKSA-N
MW394.49 g/mol
LogP3.64
Rot. Bonds6

About 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide

4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide (PubChem CID 129013622) has the molecular formula C20H24F2N2O2S and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
PubChem CID129013622
Molecular FormulaC20H24F2N2O2S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC Name4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
SMILESCN(C)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1
InChIInChI=1S/C20H24F2N2O2S/c1-24(2)13-14-3-7-17(11-14)23-27(25,26)18-8-4-15(5-9-18)19-10-6-16(21)12-20(19)22/h4-6,8-10,12,14,17,23H,3,7,11,13H2,1-2H3/t14-,17+/m1/s1
InChIKeyXLDMOAWRCWIXCZ-PBHICJAKSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
CID 45279224
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)cyclopentyl]benzenesulfonamide;ethane;methyl 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylate
CID 143959249
4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide
CID 58344278
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
CID 45279229
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
CID 58344130
4-(2,4-difluorophenyl)-N-[4-(4-pyrrolidin-1-ylbutyl)cyclohexyl]benzenesulfonamide
CID 129013703
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 58344134
[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
CID 58344321
(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
CID 58344310
1-[4-[[(1R)-3-tert-butylcyclopentyl]methylsulfonyl]phenyl]-2,4-difluorobenzene
CID 58344104

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide (CID 129013622) is 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide is CN(C)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide?
The InChIKey is XLDMOAWRCWIXCZ-PBHICJAKSA-N. The full InChI is InChI=1S/C20H24F2N2O2S/c1-24(2)13-14-3-7-17(11-14)23-27(25,26)18-8-4-15(5-9-18)19-10-6-16(21)12-20(19)22/h4-6,8-10,12,14,17,23H,3,7,11,13H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide?
4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 129013622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).