(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide

C19H19F3N2O4S — CID 2648500

IUPAC(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)28-15-11-9-14(10-12-15)23-18(25)17-8-4-5-13-24(17)29(26,27)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,23,25)/t17-/m0/s1
InChIKeyFMTQXCHCCAADGX-KRWDZBQOSA-N
MW428.43 g/mol
LogP3.77
Rot. Bonds5

About (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 2648500) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
PubChem CID2648500
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)28-15-11-9-14(10-12-15)23-18(25)17-8-4-5-13-24(17)29(26,27)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,23,25)/t17-/m0/s1
InChIKeyFMTQXCHCCAADGX-KRWDZBQOSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46351356
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 55505334

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide (CID 2648500) is (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is FMTQXCHCCAADGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)28-15-11-9-14(10-12-15)23-18(25)17-8-4-5-13-24(17)29(26,27)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 2648500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).