3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid

C15H13N3O5S — CID 4844033

IUPAC3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13N3O5S/c1-23-13-5-3-9(15(19)20)6-14(13)24(21,22)18-11-4-2-10-8-16-17-12(10)7-11/h2-8,18H,1H3,(H,16,17)(H,19,20)
InChIKeyJDBCBPFMYPENBM-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.07
Rot. Bonds5

About 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid

3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 4844033) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid
PubChem CID4844033
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13N3O5S/c1-23-13-5-3-9(15(19)20)6-14(13)24(21,22)18-11-4-2-10-8-16-17-12(10)7-11/h2-8,18H,1H3,(H,16,17)(H,19,20)
InChIKeyJDBCBPFMYPENBM-UHFFFAOYSA-N
XLogP2.07
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 2078537
methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate
CID 2091316
(E)-3-[3-(1H-indazol-6-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 2480014
5-(N-(1H-Indazol-6-yl)sulfamoyl)-2-hydroxybenzoic acid
CID 4848408
2-fluoro-5-(1H-indazol-6-ylsulfamoyl)benzoic acid
CID 17562635
methyl 3-fluoro-5-(1H-indazol-6-ylsulfamoyl)benzoate
CID 121584803
3-(1H-indazol-6-ylsulfamoyl)benzoic Acid
CID 2078526
3-[3-(1H-indazol-6-ylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 4020836
3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate
CID 7987396
dimethyl 2-(1H-indazol-6-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 17562138
3-(1H-indazol-6-ylsulfamoyl)-4-methylbenzoic acid
CID 17563695
methyl 4-(1H-indazol-6-ylsulfamoyl)benzoate
CID 17565242

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid (CID 4844033) is 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is JDBCBPFMYPENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-23-13-5-3-9(15(19)20)6-14(13)24(21,22)18-11-4-2-10-8-16-17-12(10)7-11/h2-8,18H,1H3,(H,16,17)(H,19,20).
What are the key properties of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid?
3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 347.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 4844033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).