4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C12H8ClF3N2O3S — CID 47088906

IUPAC4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]cccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-10-2-1-5-17-11(10)19/h1-6,18H,(H,17,19)
InChIKeyFTWRHBRTNCEDLW-UHFFFAOYSA-N
MW352.72 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 47088906) has the molecular formula C12H8ClF3N2O3S and a molecular weight of 352.72 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID47088906
Molecular FormulaC12H8ClF3N2O3S
Molecular Weight352.72 g/mol
Exact Mass351.99
IUPAC Name4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]cccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-10-2-1-5-17-11(10)19/h1-6,18H,(H,17,19)
InChIKeyFTWRHBRTNCEDLW-UHFFFAOYSA-N
XLogP2.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 47088906) is 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is O=c1[nH]cccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FTWRHBRTNCEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O3S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)18-10-2-1-5-17-11(10)19/h1-6,18H,(H,17,19).
What are the key properties of 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-1H-pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47088906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).