2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid

C10H9FN4O5S — CID 83096922

IUPAC2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n1
InChIInChI=1S/C10H9FN4O5S/c1-20-10-12-9(13-14-10)15-21(18,19)5-2-3-7(11)6(4-5)8(16)17/h2-4H,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyNCBKPMYDTILJPL-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.45
Rot. Bonds5

About 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid

2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid (PubChem CID 83096922) has the molecular formula C10H9FN4O5S and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid
PubChem CID83096922
Molecular FormulaC10H9FN4O5S
Molecular Weight316.27 g/mol
Exact Mass316.03
IUPAC Name2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n1
InChIInChI=1S/C10H9FN4O5S/c1-20-10-12-9(13-14-10)15-21(18,19)5-2-3-7(11)6(4-5)8(16)17/h2-4H,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyNCBKPMYDTILJPL-UHFFFAOYSA-N
XLogP0.45
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid with MolForge

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Related Compounds

2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924
4-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 83102698
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 83093255
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 114166842

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid (CID 83096922) is 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid is COc1n[nH]c(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n1.
What is the InChIKey of 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid?
The InChIKey is NCBKPMYDTILJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O5S/c1-20-10-12-9(13-14-10)15-21(18,19)5-2-3-7(11)6(4-5)8(16)17/h2-4H,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid?
2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid has a molecular weight of 316.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 83096922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).