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

C16H11FN2O4S2 — CID 51131741

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H11FN2O4S2/c17-12-5-1-10(2-6-12)15-18-14(9-24-15)25(22,23)19-13-7-3-11(4-8-13)16(20)21/h1-9,19H,(H,20,21)
InChIKeyWVFKATMWABVRSR-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.45
Rot. Bonds5

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

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (PubChem CID 51131741) has the molecular formula C16H11FN2O4S2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
PubChem CID51131741
Molecular FormulaC16H11FN2O4S2
Molecular Weight378.41 g/mol
Exact Mass378.01
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H11FN2O4S2/c17-12-5-1-10(2-6-12)15-18-14(9-24-15)25(22,23)19-13-7-3-11(4-8-13)16(20)21/h1-9,19H,(H,20,21)
InChIKeyWVFKATMWABVRSR-UHFFFAOYSA-N
XLogP3.45
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (CID 51131741) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The InChIKey is WVFKATMWABVRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S2/c17-12-5-1-10(2-6-12)15-18-14(9-24-15)25(22,23)19-13-7-3-11(4-8-13)16(20)21/h1-9,19H,(H,20,21).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid has a molecular weight of 378.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 51131741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).