N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide

C17H24N6O3S — CID 146039350

IUPACN-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1
InChIInChI=1S/C17H24N6O3S/c1-23(12-13-6-3-2-4-7-13)27(25,26)21-15-9-5-8-14(10-15)19-17(24)16-11-18-22-20-16/h2-4,6-7,11,14-15,21H,5,8-10,12H2,1H3,(H,19,24)(H,18,20,22)/t14-,15-/m1/s1
InChIKeyBDCNDTNKVJYZHS-HUUCEWRRSA-N
MW392.49 g/mol
LogP0.81
Rot. Bonds7

About N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide

N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide (PubChem CID 146039350) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide
PubChem CID146039350
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1
InChIInChI=1S/C17H24N6O3S/c1-23(12-13-6-3-2-4-7-13)27(25,26)21-15-9-5-8-14(10-15)19-17(24)16-11-18-22-20-16/h2-4,6-7,11,14-15,21H,5,8-10,12H2,1H3,(H,19,24)(H,18,20,22)/t14-,15-/m1/s1
InChIKeyBDCNDTNKVJYZHS-HUUCEWRRSA-N
XLogP0.81
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide (CID 146039350) is N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide is CN(Cc1ccccc1)S(=O)(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1.
What is the InChIKey of N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide?
The InChIKey is BDCNDTNKVJYZHS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-23(12-13-6-3-2-4-7-13)27(25,26)21-15-9-5-8-14(10-15)19-17(24)16-11-18-22-20-16/h2-4,6-7,11,14-15,21H,5,8-10,12H2,1H3,(H,19,24)(H,18,20,22)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide?
N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[[benzyl(methyl)sulfamoyl]amino]cyclohexyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 146039350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).