N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide

C18H24N4O3S — CID 2095800

IUPACN-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-21(2)26(24,25)16-10-8-14(9-11-16)18(23)20-17-12-13-19-22(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,20,23)
InChIKeyBMPGXZQMCZSJHL-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.89
Rot. Bonds5

About N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide

N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2095800) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2095800
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-21(2)26(24,25)16-10-8-14(9-11-16)18(23)20-17-12-13-19-22(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,20,23)
InChIKeyBMPGXZQMCZSJHL-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide (CID 2095800) is N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BMPGXZQMCZSJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21(2)26(24,25)16-10-8-14(9-11-16)18(23)20-17-12-13-19-22(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,20,23).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide?
N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2095800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).