methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate

C15H13N3O4S — CID 2091316

IUPACmethyl 2-(1H-indazol-6-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13N3O4S/c1-22-15(19)12-4-2-3-5-14(12)23(20,21)18-11-7-6-10-9-16-17-13(10)8-11/h2-9,18H,1H3,(H,16,17)
InChIKeyHJCKUXQIHNKIRX-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.15
Rot. Bonds4

About methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate

methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate (PubChem CID 2091316) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1H-indazol-6-ylsulfamoyl)benzoate
PubChem CID2091316
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Namemethyl 2-(1H-indazol-6-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H13N3O4S/c1-22-15(19)12-4-2-3-5-14(12)23(20,21)18-11-7-6-10-9-16-17-13(10)8-11/h2-9,18H,1H3,(H,16,17)
InChIKeyHJCKUXQIHNKIRX-UHFFFAOYSA-N
XLogP2.15
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate (CID 2091316) is methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate?
The InChIKey is HJCKUXQIHNKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-22-15(19)12-4-2-3-5-14(12)23(20,21)18-11-7-6-10-9-16-17-13(10)8-11/h2-9,18H,1H3,(H,16,17).
What are the key properties of methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate?
methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate has a molecular weight of 331.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indazol-6-ylsulfamoyl)benzoate is sourced from PubChem (CID 2091316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).