4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C14H18N4O3S — CID 30186458

IUPAC4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C14H18N4O3S/c1-10(2)18-13(8-9-16-18)17-14(19)11-4-6-12(7-5-11)22(20,21)15-3/h4-10,15H,1-3H3,(H,17,19)
InChIKeyMGCWYFOAAMHQFF-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.62
Rot. Bonds5

About 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide

4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 30186458) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID30186458
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C14H18N4O3S/c1-10(2)18-13(8-9-16-18)17-14(19)11-4-6-12(7-5-11)22(20,21)15-3/h4-10,15H,1-3H3,(H,17,19)
InChIKeyMGCWYFOAAMHQFF-UHFFFAOYSA-N
XLogP1.62
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 78772248
3-(2-methoxyethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 55631775
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 8016935
3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186121
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfonylbenzoate
CID 7744572
4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35441791
4-methylsulfanyl-3-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30181993

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 30186458) is 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2C(C)C)cc1.
What is the InChIKey of 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is MGCWYFOAAMHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10(2)18-13(8-9-16-18)17-14(19)11-4-6-12(7-5-11)22(20,21)15-3/h4-10,15H,1-3H3,(H,17,19).
What are the key properties of 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 30186458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).