5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid

C16H10F2N2O4S2 — CID 51131753

IUPAC5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10F2N2O4S2/c17-10-3-1-9(2-4-10)15-19-14(8-25-15)26(23,24)20-13-6-5-11(18)7-12(13)16(21)22/h1-8,20H,(H,21,22)
InChIKeyDYEYATJEECGIBT-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.59
Rot. Bonds5

About 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid

5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (PubChem CID 51131753) has the molecular formula C16H10F2N2O4S2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
PubChem CID51131753
Molecular FormulaC16H10F2N2O4S2
Molecular Weight396.40 g/mol
Exact Mass396.01
IUPAC Name5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10F2N2O4S2/c17-10-3-1-9(2-4-10)15-19-14(8-25-15)26(23,24)20-13-6-5-11(18)7-12(13)16(21)22/h1-8,20H,(H,21,22)
InChIKeyDYEYATJEECGIBT-UHFFFAOYSA-N
XLogP3.59
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
CID 167475542
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]-2-methoxybenzoic acid
CID 168726509
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
CID 167476420
2-fluoro-5-methoxy-4-[[2-(4-thiophen-2-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476080
2-fluoro-4-[[2-(4-isoquinolin-6-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]-5-methoxybenzoic acid
CID 167476300
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 167476455
2-fluoro-5-methoxy-4-[[2-(4-spiro[3.5]nonan-7-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 168726330

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (CID 51131753) is 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is O=C(O)c1cc(F)ccc1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The InChIKey is DYEYATJEECGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O4S2/c17-10-3-1-9(2-4-10)15-19-14(8-25-15)26(23,24)20-13-6-5-11(18)7-12(13)16(21)22/h1-8,20H,(H,21,22).
What are the key properties of 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid has a molecular weight of 396.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 51131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).