N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide

C10H11N5O4S — CID 112733236

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N5O4S/c1-19-8-3-2-6(4-9(8)20(11,17)18)13-10(16)7-5-12-15-14-7/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15)
InChIKeyROHAECCYJGCDDN-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.29
Rot. Bonds4

About N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide

N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide (PubChem CID 112733236) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
PubChem CID112733236
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N5O4S/c1-19-8-3-2-6(4-9(8)20(11,17)18)13-10(16)7-5-12-15-14-7/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15)
InChIKeyROHAECCYJGCDDN-UHFFFAOYSA-N
XLogP-0.29
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
N-(4-methoxy-3-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742535
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide (CID 112733236) is N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide is COc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is ROHAECCYJGCDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c1-19-8-3-2-6(4-9(8)20(11,17)18)13-10(16)7-5-12-15-14-7/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 297.30 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).