N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide

C18H25F2N3O3S — CID 67182855

IUPACN-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESNC(C(=O)N1CCCC1)C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H25F2N3O3S/c19-13-5-8-16(15(20)11-13)27(25,26)22-14-6-3-12(4-7-14)17(21)18(24)23-9-1-2-10-23/h5,8,11-12,14,17,22H,1-4,6-7,9-10,21H2
InChIKeyAFLYNEOQVCMCBV-UHFFFAOYSA-N
MW401.48 g/mol
LogP1.75
Rot. Bonds5

About N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide

N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide (PubChem CID 67182855) has the molecular formula C18H25F2N3O3S and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
PubChem CID67182855
Molecular FormulaC18H25F2N3O3S
Molecular Weight401.48 g/mol
Exact Mass401.16
IUPAC NameN-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESNC(C(=O)N1CCCC1)C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H25F2N3O3S/c19-13-5-8-16(15(20)11-13)27(25,26)22-14-6-3-12(4-7-14)17(21)18(24)23-9-1-2-10-23/h5,8,11-12,14,17,22H,1-4,6-7,9-10,21H2
InChIKeyAFLYNEOQVCMCBV-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

(2S,3S)-3-amino-2-[4-[(2,4-difluorophenyl)sulfonylamino]cyclohexyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxobutanamide
CID 23647714
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67392962
N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide
CID 75006551
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 10231361
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide (CID 67182855) is N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide is NC(C(=O)N1CCCC1)C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is AFLYNEOQVCMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3S/c19-13-5-8-16(15(20)11-13)27(25,26)22-14-6-3-12(4-7-14)17(21)18(24)23-9-1-2-10-23/h5,8,11-12,14,17,22H,1-4,6-7,9-10,21H2.
What are the key properties of N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 401.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 67182855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).