N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide

C17H24N4O3S — CID 22110535

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C17H24N4O3S/c1-17(2,3)14-11-15(21(6)19-14)18-16(22)12-7-9-13(10-8-12)25(23,24)20(4)5/h7-11H,1-6H3,(H,18,22)
InChIKeyKSYBXYFNAMEVHW-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.22
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 22110535) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID22110535
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C17H24N4O3S/c1-17(2,3)14-11-15(21(6)19-14)18-16(22)12-7-9-13(10-8-12)25(23,24)20(4)5/h7-11H,1-6H3,(H,18,22)
InChIKeyKSYBXYFNAMEVHW-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide (CID 22110535) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is KSYBXYFNAMEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-17(2,3)14-11-15(21(6)19-14)18-16(22)12-7-9-13(10-8-12)25(23,24)20(4)5/h7-11H,1-6H3,(H,18,22).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 22110535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).