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

C11H9ClFN3O4S — CID 51099019

IUPAC4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cn1
InChIInChI=1S/C11H9ClFN3O4S/c1-16-5-6(4-14-16)15-21(19,20)10-2-7(11(17)18)9(13)3-8(10)12/h2-5,15H,1H3,(H,17,18)
InChIKeyQUQHTRXTEDQCSU-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.71
Rot. Bonds4

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

4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid (PubChem CID 51099019) 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-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
PubChem CID51099019
Molecular FormulaC11H9ClFN3O4S
Molecular Weight333.73 g/mol
Exact Mass333.00
IUPAC Name4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
SMILESCn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cn1
InChIInChI=1S/C11H9ClFN3O4S/c1-16-5-6(4-14-16)15-21(19,20)10-2-7(11(17)18)9(13)3-8(10)12/h2-5,15H,1H3,(H,17,18)
InChIKeyQUQHTRXTEDQCSU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid (CID 51099019) is 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid is Cn1cc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Cl)cn1.
What is the InChIKey of 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
The InChIKey is QUQHTRXTEDQCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O4S/c1-16-5-6(4-14-16)15-21(19,20)10-2-7(11(17)18)9(13)3-8(10)12/h2-5,15H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-fluoro-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid?
4-chloro-2-fluoro-5-[(1-methylpyrazol-4-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-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 51099019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).