N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

C19H15F3N2O4S — CID 21015317

IUPACN-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)c1
InChIInChI=1S/C19H15F3N2O4S/c1-11(25)12-4-3-5-13(8-12)23-29(27,28)14-6-7-17-15(9-14)16(19(20,21)22)10-18(26)24(17)2/h3-10,23H,1-2H3
InChIKeyBVJWZXRFVHRIAG-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.56
Rot. Bonds4

About N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide

N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (PubChem CID 21015317) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
PubChem CID21015317
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC NameN-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)c1
InChIInChI=1S/C19H15F3N2O4S/c1-11(25)12-4-3-5-13(8-12)23-29(27,28)14-6-7-17-15(9-14)16(19(20,21)22)10-18(26)24(17)2/h3-10,23H,1-2H3
InChIKeyBVJWZXRFVHRIAG-UHFFFAOYSA-N
XLogP3.56
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide (CID 21015317) is N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)c(C(F)(F)F)cc(=O)n3C)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
The InChIKey is BVJWZXRFVHRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c1-11(25)12-4-3-5-13(8-12)23-29(27,28)14-6-7-17-15(9-14)16(19(20,21)22)10-18(26)24(17)2/h3-10,23H,1-2H3.
What are the key properties of N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide?
N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide has a molecular weight of 424.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 21015317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).