N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

C16H22N4O4S — CID 55976049

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C16H22N4O4S/c1-16(2,3)13-10-14(19-18-13)17-15(21)11-7-6-8-12(9-11)25(22,23)20(4)24-5/h6-10H,1-5H3,(H2,17,18,19,21)
InChIKeyXTJHSEMYMLUPRO-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.14
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55976049) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55976049
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C16H22N4O4S/c1-16(2,3)13-10-14(19-18-13)17-15(21)11-7-6-8-12(9-11)25(22,23)20(4)24-5/h6-10H,1-5H3,(H2,17,18,19,21)
InChIKeyXTJHSEMYMLUPRO-UHFFFAOYSA-N
XLogP2.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]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

3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55435386
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55976049) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is XTJHSEMYMLUPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-16(2,3)13-10-14(19-18-13)17-15(21)11-7-6-8-12(9-11)25(22,23)20(4)24-5/h6-10H,1-5H3,(H2,17,18,19,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55976049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).