(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C19H18F4N2O3S — CID 28550024

IUPAC(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H18F4N2O3S/c20-17-9-8-14(11-16(17)19(21,22)23)24-18(26)13-5-4-10-25(12-13)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,24,26)/t13-/m0/s1
InChIKeyBVZOLSJAHMPMJI-ZDUSSCGKSA-N
MW430.42 g/mol
LogP3.88
Rot. Bonds4

About (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 28550024) has the molecular formula C19H18F4N2O3S and a molecular weight of 430.42 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID28550024
Molecular FormulaC19H18F4N2O3S
Molecular Weight430.42 g/mol
Exact Mass430.10
IUPAC Name(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H18F4N2O3S/c20-17-9-8-14(11-16(17)19(21,22)23)24-18(26)13-5-4-10-25(12-13)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,24,26)/t13-/m0/s1
InChIKeyBVZOLSJAHMPMJI-ZDUSSCGKSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 43872886
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28549944
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 55796655
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3S)-1-ethylsulfonyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(3S)-1-ethylsulfonylpiperidine-3-carboxylic acid
CID 167672683
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 28550024) is (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BVZOLSJAHMPMJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18F4N2O3S/c20-17-9-8-14(11-16(17)19(21,22)23)24-18(26)13-5-4-10-25(12-13)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,24,26)/t13-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 28550024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).