N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

C21H23N5O3S — CID 90645135

IUPACN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O3S/c22-30(28,29)18-13-11-17(12-14-18)26-20(15-7-3-1-4-8-15)24-19(25-26)21(27)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,27)(H2,22,28,29)
InChIKeyWLJBYZSHUFEDCX-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.64
Rot. Bonds5

About N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90645135) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90645135
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O3S/c22-30(28,29)18-13-11-17(12-14-18)26-20(15-7-3-1-4-8-15)24-19(25-26)21(27)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,27)(H2,22,28,29)
InChIKeyWLJBYZSHUFEDCX-UHFFFAOYSA-N
XLogP2.64
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 90645135) is N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WLJBYZSHUFEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c22-30(28,29)18-13-11-17(12-14-18)26-20(15-7-3-1-4-8-15)24-19(25-26)21(27)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,27)(H2,22,28,29).
What are the key properties of N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90645135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).