N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide

C22H31F2N3O3S — CID 67392962

IUPACN-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESO=C(C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31F2N3O3S/c23-17-7-10-21(20(24)15-17)31(29,30)25-18-8-5-16(6-9-18)22(28)27-13-11-26(12-14-27)19-3-1-2-4-19/h7,10,15-16,18-19,25H,1-6,8-9,11-14H2
InChIKeyQYVHKPZLNABUOW-UHFFFAOYSA-N
MW455.57 g/mol
LogP2.89
Rot. Bonds5

About N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide

N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide (PubChem CID 67392962) has the molecular formula C22H31F2N3O3S and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
PubChem CID67392962
Molecular FormulaC22H31F2N3O3S
Molecular Weight455.57 g/mol
Exact Mass455.21
IUPAC NameN-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESO=C(C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H31F2N3O3S/c23-17-7-10-21(20(24)15-17)31(29,30)25-18-8-5-16(6-9-18)22(28)27-13-11-26(12-14-27)19-3-1-2-4-19/h7,10,15-16,18-19,25H,1-6,8-9,11-14H2
InChIKeyQYVHKPZLNABUOW-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 67393705
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67182855
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
CID 68596788
N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 67393352
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide (CID 67392962) is N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide is O=C(C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is QYVHKPZLNABUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O3S/c23-17-7-10-21(20(24)15-17)31(29,30)25-18-8-5-16(6-9-18)22(28)27-13-11-26(12-14-27)19-3-1-2-4-19/h7,10,15-16,18-19,25H,1-6,8-9,11-14H2.
What are the key properties of N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide?
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 455.57 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 67392962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).