methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate

C15H13N3O4S — CID 40687663

IUPACmethyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H13N3O4S/c1-22-15(19)10-2-5-13(6-3-10)23(20,21)18-12-4-7-14-11(8-12)9-16-17-14/h2-9,18H,1H3,(H,16,17)
InChIKeyCRDBMLWPJJLWTI-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.15
Rot. Bonds4

About methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate

methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate (PubChem CID 40687663) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
PubChem CID40687663
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Namemethyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H13N3O4S/c1-22-15(19)10-2-5-13(6-3-10)23(20,21)18-12-4-7-14-11(8-12)9-16-17-14/h2-9,18H,1H3,(H,16,17)
InChIKeyCRDBMLWPJJLWTI-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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Related Compounds

N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
methyl 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]benzoate
CID 15999609
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
5-(1H-indazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 39832395
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
methyl 4-[5-[(1H-indazol-5-ylamino)methyl]furan-2-yl]benzoate
CID 167841271

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate (CID 40687663) is methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate?
The InChIKey is CRDBMLWPJJLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-22-15(19)10-2-5-13(6-3-10)23(20,21)18-12-4-7-14-11(8-12)9-16-17-14/h2-9,18H,1H3,(H,16,17).
What are the key properties of methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate?
methyl 4-(1H-indazol-5-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 4-(1H-indazol-5-ylsulfamoyl)benzoate is sourced from PubChem (CID 40687663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).