N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H23F3N2O3S — CID 75417231

IUPACN-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(=O)C2CCCN(CC(F)(F)F)C2)cc1
InChIInChI=1S/C17H23F3N2O3S/c1-2-4-13-6-8-15(9-7-13)26(24,25)21-16(23)14-5-3-10-22(11-14)12-17(18,19)20/h6-9,14H,2-5,10-12H2,1H3,(H,21,23)
InChIKeyPQDPCYSKAKKZOY-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.72
Rot. Bonds6

About N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75417231) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75417231
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC NameN-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(=O)C2CCCN(CC(F)(F)F)C2)cc1
InChIInChI=1S/C17H23F3N2O3S/c1-2-4-13-6-8-15(9-7-13)26(24,25)21-16(23)14-5-3-10-22(11-14)12-17(18,19)20/h6-9,14H,2-5,10-12H2,1H3,(H,21,23)
InChIKeyPQDPCYSKAKKZOY-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937760
methyl 1-(4-propylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732202
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111614711
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
1-(4-methoxyphenyl)sulfonyl-N-[2-(4-propylphenoxy)ethyl]piperidine-3-carboxamide
CID 133164395
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471

Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75417231) is N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCc1ccc(S(=O)(=O)NC(=O)C2CCCN(CC(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is PQDPCYSKAKKZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-2-4-13-6-8-15(9-7-13)26(24,25)21-16(23)14-5-3-10-22(11-14)12-17(18,19)20/h6-9,14H,2-5,10-12H2,1H3,(H,21,23).
What are the key properties of N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75417231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).