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

C17H13FN2O5S2 — CID 168726509

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)ccc1C(=O)O
InChIInChI=1S/C17H13FN2O5S2/c1-25-14-8-12(6-7-13(14)17(21)22)20-27(23,24)15-9-26-16(19-15)10-2-4-11(18)5-3-10/h2-9,20H,1H3,(H,21,22)
InChIKeyGONOSKRKVOWPKF-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.46
Rot. Bonds6

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

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid (PubChem CID 168726509) has the molecular formula C17H13FN2O5S2 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
PubChem CID168726509
Molecular FormulaC17H13FN2O5S2
Molecular Weight408.43 g/mol
Exact Mass408.02
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)ccc1C(=O)O
InChIInChI=1S/C17H13FN2O5S2/c1-25-14-8-12(6-7-13(14)17(21)22)20-27(23,24)15-9-26-16(19-15)10-2-4-11(18)5-3-10/h2-9,20H,1H3,(H,21,22)
InChIKeyGONOSKRKVOWPKF-UHFFFAOYSA-N
XLogP3.46
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
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-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 167476455
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
2-methoxy-4-[(1-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 167777194
2-fluoro-5-methoxy-4-[[2-(4-spiro[3.5]nonan-7-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 168726330
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid (CID 168726509) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid is COc1cc(NS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)ccc1C(=O)O.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid?
The InChIKey is GONOSKRKVOWPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5S2/c1-25-14-8-12(6-7-13(14)17(21)22)20-27(23,24)15-9-26-16(19-15)10-2-4-11(18)5-3-10/h2-9,20H,1H3,(H,21,22).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid?
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid has a molecular weight of 408.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 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-methoxybenzoic acid is sourced from PubChem (CID 168726509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).