(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide

C19H20F2N2O4S — CID 2648529

IUPAC(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20F2N2O4S/c20-19(21)27-15-11-9-14(10-12-15)22-18(24)17-8-4-5-13-23(17)28(25,26)16-6-2-1-3-7-16/h1-3,6-7,9-12,17,19H,4-5,8,13H2,(H,22,24)/t17-/m1/s1
InChIKeyNQCKCRFPDHLMFV-QGZVFWFLSA-N
MW410.44 g/mol
LogP3.47
Rot. Bonds6

About (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 2648529) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
PubChem CID2648529
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20F2N2O4S/c20-19(21)27-15-11-9-14(10-12-15)22-18(24)17-8-4-5-13-23(17)28(25,26)16-6-2-1-3-7-16/h1-3,6-7,9-12,17,19H,4-5,8,13H2,(H,22,24)/t17-/m1/s1
InChIKeyNQCKCRFPDHLMFV-QGZVFWFLSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
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)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
N-[4-(difluoromethoxy)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154914
(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-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide (CID 2648529) is (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is NQCKCRFPDHLMFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c20-19(21)27-15-11-9-14(10-12-15)22-18(24)17-8-4-5-13-23(17)28(25,26)16-6-2-1-3-7-16/h1-3,6-7,9-12,17,19H,4-5,8,13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 2648529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).