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

C17H13FN2O4S2 — CID 167476056

IUPAC4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESCc1sc(-c2ccc(F)cc2)nc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H13FN2O4S2/c1-10-16(19-15(25-10)11-2-6-13(18)7-3-11)26(23,24)20-14-8-4-12(5-9-14)17(21)22/h2-9,20H,1H3,(H,21,22)
InChIKeyGVPNCTBMDMOVAJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.76
Rot. Bonds5

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

4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (PubChem CID 167476056) has the molecular formula C17H13FN2O4S2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
PubChem CID167476056
Molecular FormulaC17H13FN2O4S2
Molecular Weight392.43 g/mol
Exact Mass392.03
IUPAC Name4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
SMILESCc1sc(-c2ccc(F)cc2)nc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H13FN2O4S2/c1-10-16(19-15(25-10)11-2-6-13(18)7-3-11)26(23,24)20-14-8-4-12(5-9-14)17(21)22/h2-9,20H,1H3,(H,21,22)
InChIKeyGVPNCTBMDMOVAJ-UHFFFAOYSA-N
XLogP3.76
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.76
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)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid (CID 167476056) is 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is Cc1sc(-c2ccc(F)cc2)nc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
The InChIKey is GVPNCTBMDMOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S2/c1-10-16(19-15(25-10)11-2-6-13(18)7-3-11)26(23,24)20-14-8-4-12(5-9-14)17(21)22/h2-9,20H,1H3,(H,21,22).
What are the key properties of 4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid?
4-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid has a molecular weight of 392.43 g/mol, XLogP of 3.76, 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)-5-methyl-1,3-thiazol-4-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 167476056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).