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

C16H12N2O4S2 — CID 167475368

IUPAC4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O4S2/c19-16(20)12-6-8-13(9-7-12)18-24(21,22)14-10-23-15(17-14)11-4-2-1-3-5-11/h1-10,18H,(H,19,20)
InChIKeyLMIKIEURHPARPY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.31
Rot. Bonds5

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

4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 167475368) has the molecular formula C16H12N2O4S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
PubChem CID167475368
Molecular FormulaC16H12N2O4S2
Molecular Weight360.42 g/mol
Exact Mass360.02
IUPAC Name4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O4S2/c19-16(20)12-6-8-13(9-7-12)18-24(21,22)14-10-23-15(17-14)11-4-2-1-3-5-11/h1-10,18H,(H,19,20)
InChIKeyLMIKIEURHPARPY-UHFFFAOYSA-N
XLogP3.31
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
4-[[2-(2-fluoro-4-phenylphenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167476801
4-[[2-(3-isocyanophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 168726500
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
CID 136533042
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid (CID 167475368) is 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is LMIKIEURHPARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S2/c19-16(20)12-6-8-13(9-7-12)18-24(21,22)14-10-23-15(17-14)11-4-2-1-3-5-11/h1-10,18H,(H,19,20).
What are the key properties of 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid?
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 360.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 167475368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).