N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H11F3N2O4S — CID 51092868

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F3N2O4S/c1-18-8-9(2-7-12(18)19)17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,17H,1H3
InChIKeyZSIIOVFIAPPKGG-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.08
Rot. Bonds4

About N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 51092868) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID51092868
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F3N2O4S/c1-18-8-9(2-7-12(18)19)17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,17H,1H3
InChIKeyZSIIOVFIAPPKGG-UHFFFAOYSA-N
XLogP2.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 51092868) is N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZSIIOVFIAPPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c1-18-8-9(2-7-12(18)19)17-23(20,21)11-5-3-10(4-6-11)22-13(14,15)16/h2-8,17H,1H3.
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 348.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 51092868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).