N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H24ClF3N2O3S — CID 55661720

IUPACN-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClF3N2O3S/c1-2-3-10-23(13-18(20,21)22)17(25)14-8-11-24(12-9-14)28(26,27)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyLZZBEBSVYHIBLB-UHFFFAOYSA-N
MW440.92 g/mol
LogP3.93
Rot. Bonds7

About N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 55661720) has the molecular formula C18H24ClF3N2O3S and a molecular weight of 440.92 g/mol. Its IUPAC name is N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID55661720
Molecular FormulaC18H24ClF3N2O3S
Molecular Weight440.92 g/mol
Exact Mass440.11
IUPAC NameN-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClF3N2O3S/c1-2-3-10-23(13-18(20,21)22)17(25)14-8-11-24(12-9-14)28(26,27)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyLZZBEBSVYHIBLB-UHFFFAOYSA-N
XLogP3.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
ethyl 5-[4-[butyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55763694
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(2-methyl-5-nitrophenyl)sulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661948
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 78855666
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55661970

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 55661720) is N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is LZZBEBSVYHIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF3N2O3S/c1-2-3-10-23(13-18(20,21)22)17(25)14-8-11-24(12-9-14)28(26,27)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 440.92 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55661720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).