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

C17H14N2O4S2 — CID 8841398

IUPAC3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc2)cs1
InChIInChI=1S/C17H14N2O4S2/c1-11-18-16(10-24-11)12-5-7-14(8-6-12)19-25(22,23)15-4-2-3-13(9-15)17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyLYKQKKDFPRFDMJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds5

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

3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 8841398) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID8841398
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Name3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc2)cs1
InChIInChI=1S/C17H14N2O4S2/c1-11-18-16(10-24-11)12-5-7-14(8-6-12)19-25(22,23)15-4-2-3-13(9-15)17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyLYKQKKDFPRFDMJ-UHFFFAOYSA-N
XLogP3.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504634
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 25335438
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid (CID 8841398) is 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid is Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc2)cs1.
What is the InChIKey of 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is LYKQKKDFPRFDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-11-18-16(10-24-11)12-5-7-14(8-6-12)19-25(22,23)15-4-2-3-13(9-15)17(20)21/h2-10,19H,1H3,(H,20,21).
What are the key properties of 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid?
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 374.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 8841398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).