1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide

C16H14ClN5O3S — CID 6493785

IUPAC1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O3S/c1-10-15(20-21-22(10)14-5-3-2-4-13(14)17)16(23)19-11-6-8-12(9-7-11)26(18,24)25/h2-9H,1H3,(H,19,23)(H2,18,24,25)
InChIKeyVCYXWUSNSFKNLA-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide (PubChem CID 6493785) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
PubChem CID6493785
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O3S/c1-10-15(20-21-22(10)14-5-3-2-4-13(14)17)16(23)19-11-6-8-12(9-7-11)26(18,24)25/h2-9H,1H3,(H,19,23)(H2,18,24,25)
InChIKeyVCYXWUSNSFKNLA-UHFFFAOYSA-N
XLogP2.13
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
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CID 22516202
1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
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CID 98361607
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CID 56801333
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 95572722
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide (CID 6493785) is 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide?
The InChIKey is VCYXWUSNSFKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c1-10-15(20-21-22(10)14-5-3-2-4-13(14)17)16(23)19-11-6-8-12(9-7-11)26(18,24)25/h2-9H,1H3,(H,19,23)(H2,18,24,25).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide has a molecular weight of 391.84 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6493785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).