methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate

C10H10N4O4S — CID 118711617

IUPACmethyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17)
InChIKeyRAPLEDNXUVIADV-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.30
Rot. Bonds3

About methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate

methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate (PubChem CID 118711617) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate
PubChem CID118711617
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Namemethyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17)
InChIKeyRAPLEDNXUVIADV-UHFFFAOYSA-N
XLogP-0.30
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate 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 methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate?
The IUPAC name of methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate (CID 118711617) is methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate is COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate?
The InChIKey is RAPLEDNXUVIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-18-10(15)9-6-14(13-12-9)7-2-4-8(5-3-7)19(11,16)17/h2-6H,1H3,(H2,11,16,17).
What are the key properties of methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate?
methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate has a molecular weight of 282.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-sulfamoylphenyl)triazole-4-carboxylate is sourced from PubChem (CID 118711617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).