N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide

C12H14F3N3O3S — CID 167962207

IUPACN-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC1CCNC(=O)C1NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N3O3S/c1-7-4-5-16-11(19)10(7)18-22(20,21)9-3-2-8(6-17-9)12(13,14)15/h2-3,6-7,10,18H,4-5H2,1H3,(H,16,19)
InChIKeyLGGTWRSXQACXQT-UHFFFAOYSA-N
MW337.32 g/mol
LogP0.90
Rot. Bonds3

About N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide

N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 167962207) has the molecular formula C12H14F3N3O3S and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID167962207
Molecular FormulaC12H14F3N3O3S
Molecular Weight337.32 g/mol
Exact Mass337.07
IUPAC NameN-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCC1CCNC(=O)C1NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N3O3S/c1-7-4-5-16-11(19)10(7)18-22(20,21)9-3-2-8(6-17-9)12(13,14)15/h2-3,6-7,10,18H,4-5H2,1H3,(H,16,19)
InChIKeyLGGTWRSXQACXQT-UHFFFAOYSA-N
XLogP0.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 167962207) is N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide is CC1CCNC(=O)C1NS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is LGGTWRSXQACXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3S/c1-7-4-5-16-11(19)10(7)18-22(20,21)9-3-2-8(6-17-9)12(13,14)15/h2-3,6-7,10,18H,4-5H2,1H3,(H,16,19).
What are the key properties of N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 337.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 167962207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).