N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C12H13F3N2O3S — CID 54761931

IUPACN-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)8-3-5-9(6-4-8)21(19,20)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18)/t10-/m0/s1
InChIKeyKTBVUQPZOGPMNM-JTQLQIEISA-N
MW322.31 g/mol
LogP1.26
Rot. Bonds3

About N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 54761931) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID54761931
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC NameN-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)8-3-5-9(6-4-8)21(19,20)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18)/t10-/m0/s1
InChIKeyKTBVUQPZOGPMNM-JTQLQIEISA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-[4-(trifluoromethyl)anilino]piperidin-2-one
CID 62648784
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79195462
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
CID 62091993
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 3770703

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 54761931) is N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KTBVUQPZOGPMNM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c13-12(14,15)8-3-5-9(6-4-8)21(19,20)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 54761931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).