4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid

C18H16N2O4S2 — CID 8823584

IUPAC4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)O)ccc3C)c2)cs1
InChIInChI=1S/C18H16N2O4S2/c1-11-6-7-14(18(21)22)9-17(11)26(23,24)20-15-5-3-4-13(8-15)16-10-25-12(2)19-16/h3-10,20H,1-2H3,(H,21,22)
InChIKeyMIGUSXKSOLPGBB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.93
Rot. Bonds5

About 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid

4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 8823584) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID8823584
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)O)ccc3C)c2)cs1
InChIInChI=1S/C18H16N2O4S2/c1-11-6-7-14(18(21)22)9-17(11)26(23,24)20-15-5-3-4-13(8-15)16-10-25-12(2)19-16/h3-10,20H,1-2H3,(H,21,22)
InChIKeyMIGUSXKSOLPGBB-UHFFFAOYSA-N
XLogP3.93
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid (CID 8823584) is 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid is Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)O)ccc3C)c2)cs1.
What is the InChIKey of 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is MIGUSXKSOLPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-11-6-7-14(18(21)22)9-17(11)26(23,24)20-15-5-3-4-13(8-15)16-10-25-12(2)19-16/h3-10,20H,1-2H3,(H,21,22).
What are the key properties of 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 388.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 8823584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).