N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

C24H27ClF2N2O3S — CID 60573498

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H27ClF2N2O3S/c25-19-5-3-18(4-6-19)24(11-1-2-12-24)16-28-23(30)17-9-13-29(14-10-17)33(31,32)22-15-20(26)7-8-21(22)27/h3-8,15,17H,1-2,9-14,16H2,(H,28,30)
InChIKeyLDXFRKLTVHTRQE-UHFFFAOYSA-N
MW497.01 g/mol
LogP4.65
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 60573498) has the molecular formula C24H27ClF2N2O3S and a molecular weight of 497.01 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID60573498
Molecular FormulaC24H27ClF2N2O3S
Molecular Weight497.01 g/mol
Exact Mass496.14
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H27ClF2N2O3S/c25-19-5-3-18(4-6-19)24(11-1-2-12-24)16-28-23(30)17-9-13-29(14-10-17)33(31,32)22-15-20(26)7-8-21(22)27/h3-8,15,17H,1-2,9-14,16H2,(H,28,30)
InChIKeyLDXFRKLTVHTRQE-UHFFFAOYSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 24614549
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
CID 55781036
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60578837
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 60573498) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LDXFRKLTVHTRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N2O3S/c25-19-5-3-18(4-6-19)24(11-1-2-12-24)16-28-23(30)17-9-13-29(14-10-17)33(31,32)22-15-20(26)7-8-21(22)27/h3-8,15,17H,1-2,9-14,16H2,(H,28,30).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 497.01 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 60573498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).