N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C15H18ClF3N2O3S — CID 75405079

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H18ClF3N2O3S/c16-12-3-5-13(6-4-12)25(23,24)9-7-20-14(22)21-8-1-2-11(10-21)15(17,18)19/h3-6,11H,1-2,7-10H2,(H,20,22)
InChIKeyKHSPSAHSLWWFKE-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 75405079) has the molecular formula C15H18ClF3N2O3S and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID75405079
Molecular FormulaC15H18ClF3N2O3S
Molecular Weight398.83 g/mol
Exact Mass398.07
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H18ClF3N2O3S/c16-12-3-5-13(6-4-12)25(23,24)9-7-20-14(22)21-8-1-2-11(10-21)15(17,18)19/h3-6,11H,1-2,7-10H2,(H,20,22)
InChIKeyKHSPSAHSLWWFKE-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 42955553
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 1231349
N-[2-(4-tert-butylphenyl)sulfonylethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 127309593
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95137726
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 597268
N-[2-(benzenesulfonyl)ethyl]-4-methylazepane-1-carboxamide
CID 86864238
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 75405079) is N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is KHSPSAHSLWWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3S/c16-12-3-5-13(6-4-12)25(23,24)9-7-20-14(22)21-8-1-2-11(10-21)15(17,18)19/h3-6,11H,1-2,7-10H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75405079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).