4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

C11H10FN3O4S — CID 60703855

IUPAC4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)n1
InChIInChI=1S/C11H10FN3O4S/c1-15-5-4-10(13-15)14-20(18,19)9-6-7(11(16)17)2-3-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyKTPSAYJMABHEHT-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds4

About 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 60703855) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID60703855
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)n1
InChIInChI=1S/C11H10FN3O4S/c1-15-5-4-10(13-15)14-20(18,19)9-6-7(11(16)17)2-3-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyKTPSAYJMABHEHT-UHFFFAOYSA-N
XLogP1.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (CID 60703855) is 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)n1.
What is the InChIKey of 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is KTPSAYJMABHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-15-5-4-10(13-15)14-20(18,19)9-6-7(11(16)17)2-3-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60703855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).