N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide

C18H16N2O3S — CID 31670142

IUPACN-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-10-15-4-3-5-17(18(15)19-11-12)24(22,23)20-16-8-6-14(7-9-16)13(2)21/h3-11,20H,1-2H3
InChIKeyVLPYHOQPALBQOT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.55
Rot. Bonds4

About N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide

N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31670142) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31670142
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-10-15-4-3-5-17(18(15)19-11-12)24(22,23)20-16-8-6-14(7-9-16)13(2)21/h3-11,20H,1-2H3
InChIKeyVLPYHOQPALBQOT-UHFFFAOYSA-N
XLogP3.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
CID 39833326
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide (CID 31670142) is N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is VLPYHOQPALBQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-10-15-4-3-5-17(18(15)19-11-12)24(22,23)20-16-8-6-14(7-9-16)13(2)21/h3-11,20H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide?
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31670142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).