4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

C11H9ClFN3O4S — CID 51099015

IUPAC4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)n1
InChIInChI=1S/C11H9ClFN3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)8(13)5-7(9)12/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyYOLDFZRZOXSHCX-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.71
Rot. Bonds4

About 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 51099015) has the molecular formula C11H9ClFN3O4S and a molecular weight of 333.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID51099015
Molecular FormulaC11H9ClFN3O4S
Molecular Weight333.73 g/mol
Exact Mass333.00
IUPAC Name4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)n1
InChIInChI=1S/C11H9ClFN3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)8(13)5-7(9)12/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyYOLDFZRZOXSHCX-UHFFFAOYSA-N
XLogP1.71
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (CID 51099015) is 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is Cn1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is YOLDFZRZOXSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O4S/c1-16-3-2-10(14-16)15-21(19,20)9-4-6(11(17)18)8(13)5-7(9)12/h2-5H,1H3,(H,14,15)(H,17,18).
What are the key properties of 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 333.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 51099015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).