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

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Related Compounds

Methyl 1-(2,3,5,6-Tetrafluoro-4-Sulfamoylphenyl)-1h-1,2,3-Triazole-4-Carboxylate
CID 53389267
Tert-butyl 4-[1-(2-fluoro-4-methylsulfonylphenyl)triazole-4-carbonyl]oxypiperidine-1-carboxylate
CID 155523981
Tert-butyl 4-[1-(4-methylsulfonylphenyl)triazole-4-carbonyl]oxypiperidine-1-carboxylate
CID 155537620
methyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate
CID 13759620
methyl 1-(3-aminophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 23760093
Ethyl 1-[1-(3-fluorobenzenesulfonyl)azetidin-3-YL]-1H-1,2,3-triazole-4-carboxylate
CID 87052273
Ethyl 5-methyl-1-(4-sulfamoylphenyl)triazole-4-carboxylate
CID 145925912
[3-(4-Ethoxycarbonyltriazol-1-yl)phenyl]boronic acid
CID 168292027
Ethyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate
CID 5270623
methyl 1-(2-aminophenyl)-1H-1,2,3-triazole-4-carboxylate
CID 25312763
Ethyl 1-(4-fluorosulfonylphenyl)triazole-4-carboxylate
CID 135043354
ethyl 1-phenyl-1H-1,2,3-triazole-5-carboxylate
CID 12194514

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).