3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid

C19H13F2N3O4S — CID 21467498

IUPAC3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4cc(C(=O)O)ccc4c32)cc1
InChIInChI=1S/C19H13F2N3O4S/c20-18(21)16-15-8-1-10-9-11(19(25)26)2-7-14(10)17(15)24(23-16)12-3-5-13(6-4-12)29(22,27)28/h1-9,18H,(H,25,26)(H2,22,27,28)
InChIKeyKWZQXXJMQSCBCR-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.46
Rot. Bonds4

About 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid

3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid (PubChem CID 21467498) has the molecular formula C19H13F2N3O4S and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid
PubChem CID21467498
Molecular FormulaC19H13F2N3O4S
Molecular Weight417.39 g/mol
Exact Mass417.06
IUPAC Name3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4cc(C(=O)O)ccc4c32)cc1
InChIInChI=1S/C19H13F2N3O4S/c20-18(21)16-15-8-1-10-9-11(19(25)26)2-7-14(10)17(15)24(23-16)12-3-5-13(6-4-12)29(22,27)28/h1-9,18H,(H,25,26)(H2,22,27,28)
InChIKeyKWZQXXJMQSCBCR-UHFFFAOYSA-N
XLogP3.46
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic 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 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid (CID 21467498) is 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid is NS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4cc(C(=O)O)ccc4c32)cc1.
What is the InChIKey of 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid?
The InChIKey is KWZQXXJMQSCBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O4S/c20-18(21)16-15-8-1-10-9-11(19(25)26)2-7-14(10)17(15)24(23-16)12-3-5-13(6-4-12)29(22,27)28/h1-9,18H,(H,25,26)(H2,22,27,28).
What are the key properties of 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid?
3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid has a molecular weight of 417.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-sulfamoylphenyl)benzo[g]indazole-7-carboxylic acid is sourced from PubChem (CID 21467498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).