3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate

C15H12N3O5S- — CID 7987396

IUPAC3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate
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)/p-1
InChIKeyJDBCBPFMYPENBM-UHFFFAOYSA-M
MW346.34 g/mol
LogP0.74
Rot. Bonds5

About 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate

3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate (PubChem CID 7987396) has the molecular formula C15H12N3O5S- and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate
PubChem CID7987396
Molecular FormulaC15H12N3O5S-
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate
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)/p-1
InChIKeyJDBCBPFMYPENBM-UHFFFAOYSA-M
XLogP0.74
TPSA124.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate (CID 7987396) is 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate?
The InChIKey is JDBCBPFMYPENBM-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate?
3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-ylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 7987396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).