N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide

C11H9F3N2O4S — CID 167944942

IUPACN-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H9F3N2O4S/c1-21(18,19)16-7-5-15-9-6(10(7)17)3-2-4-8(9)20-11(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyURPVPUWSYIFDOU-UHFFFAOYSA-N
MW322.26 g/mol
LogP1.80
Rot. Bonds3

About N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide

N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide (PubChem CID 167944942) has the molecular formula C11H9F3N2O4S and a molecular weight of 322.26 g/mol. Its IUPAC name is N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide
PubChem CID167944942
Molecular FormulaC11H9F3N2O4S
Molecular Weight322.26 g/mol
Exact Mass322.02
IUPAC NameN-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H9F3N2O4S/c1-21(18,19)16-7-5-15-9-6(10(7)17)3-2-4-8(9)20-11(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyURPVPUWSYIFDOU-UHFFFAOYSA-N
XLogP1.80
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]acetamide
CID 155965638
N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
CID 91640381
8-(trifluoromethoxy)-1H-quinazoline-2,4-dione
CID 19604318
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 23609031
4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351701
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
N-[3-[3-(2-fluorophenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731339
N-(2-tert-butylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723035
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
N-[2-[bis(7-ethyl-1H-indol-3-yl)methyl]phenyl]methanesulfonamide
CID 42609985

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide?
The IUPAC name of N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide (CID 167944942) is N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1c[nH]c2c(OC(F)(F)F)cccc2c1=O.
What is the InChIKey of N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide?
The InChIKey is URPVPUWSYIFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4S/c1-21(18,19)16-7-5-15-9-6(10(7)17)3-2-4-8(9)20-11(12,13)14/h2-5,16H,1H3,(H,15,17).
What are the key properties of N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide?
N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide has a molecular weight of 322.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide is sourced from PubChem (CID 167944942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).