4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid

C16H11FN2O5S2 — CID 167476238

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1O
InChIInChI=1S/C16H11FN2O5S2/c17-10-3-1-9(2-4-10)15-18-14(8-25-15)26(23,24)19-11-5-6-12(16(21)22)13(20)7-11/h1-8,19-20H,(H,21,22)
InChIKeyOWGNFDRAKCFLOW-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.15
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 167476238) has the molecular formula C16H11FN2O5S2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
PubChem CID167476238
Molecular FormulaC16H11FN2O5S2
Molecular Weight394.41 g/mol
Exact Mass394.01
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1O
InChIInChI=1S/C16H11FN2O5S2/c17-10-3-1-9(2-4-10)15-18-14(8-25-15)26(23,24)19-11-5-6-12(16(21)22)13(20)7-11/h1-8,19-20H,(H,21,22)
InChIKeyOWGNFDRAKCFLOW-UHFFFAOYSA-N
XLogP3.15
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
CID 167475542
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
2-fluoro-5-methoxy-4-[[2-(4-thiophen-2-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476080
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
CID 167476420
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid (CID 167476238) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1O.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is OWGNFDRAKCFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O5S2/c17-10-3-1-9(2-4-10)15-18-14(8-25-15)26(23,24)19-11-5-6-12(16(21)22)13(20)7-11/h1-8,19-20H,(H,21,22).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid?
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 394.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 167476238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).