3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide

C20H17N3O2S2 — CID 31046759

IUPAC3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cccc(-c4csc(C)n4)c3)cccc2c1
InChIInChI=1S/C20H17N3O2S2/c1-13-9-16-6-4-8-19(20(16)21-11-13)27(24,25)23-17-7-3-5-15(10-17)18-12-26-14(2)22-18/h3-12,23H,1-2H3
InChIKeyQDEDYACRQYWWKT-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.78
Rot. Bonds4

About 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide (PubChem CID 31046759) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
PubChem CID31046759
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cccc(-c4csc(C)n4)c3)cccc2c1
InChIInChI=1S/C20H17N3O2S2/c1-13-9-16-6-4-8-19(20(16)21-11-13)27(24,25)23-17-7-3-5-15(10-17)18-12-26-14(2)22-18/h3-12,23H,1-2H3
InChIKeyQDEDYACRQYWWKT-UHFFFAOYSA-N
XLogP4.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide (CID 31046759) is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3cccc(-c4csc(C)n4)c3)cccc2c1.
What is the InChIKey of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide?
The InChIKey is QDEDYACRQYWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13-9-16-6-4-8-19(20(16)21-11-13)27(24,25)23-17-7-3-5-15(10-17)18-12-26-14(2)22-18/h3-12,23H,1-2H3.
What are the key properties of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide?
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide has a molecular weight of 395.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 31046759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).