(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide

C12H14F2N2O3S — CID 94017405

IUPAC(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H14F2N2O3S/c13-9-4-10(14)6-11(5-9)20(18,19)16-3-1-2-8(7-16)12(15)17/h4-6,8H,1-3,7H2,(H2,15,17)/t8-/m1/s1
InChIKeyZYKMDKCQBUANJW-MRVPVSSYSA-N
MW304.32 g/mol
LogP0.85
Rot. Bonds3

About (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide

(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 94017405) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID94017405
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H14F2N2O3S/c13-9-4-10(14)6-11(5-9)20(18,19)16-3-1-2-8(7-16)12(15)17/h4-6,8H,1-3,7H2,(H2,15,17)/t8-/m1/s1
InChIKeyZYKMDKCQBUANJW-MRVPVSSYSA-N
XLogP0.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3S)-1-(3-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 136580982
methyl 1-(3-amino-5-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 115533410
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
(1S)-1-[(3S)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239680
(1R)-1-[(3R)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239679
1-sulfamoylpiperidine-3-carboxamide
CID 43132049

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide (CID 94017405) is (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZYKMDKCQBUANJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c13-9-4-10(14)6-11(5-9)20(18,19)16-3-1-2-8(7-16)12(15)17/h4-6,8H,1-3,7H2,(H2,15,17)/t8-/m1/s1.
What are the key properties of (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide?
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94017405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).