4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

C19H20N4O3S — CID 27304169

IUPAC4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-22(27(25,26)18-9-7-17(8-10-18)19(20)24)12-16-11-21-23(14-16)13-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3,(H2,20,24)
InChIKeyMBRJKZBZJXCWCE-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.85
Rot. Bonds7

About 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide

4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (PubChem CID 27304169) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
PubChem CID27304169
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-22(27(25,26)18-9-7-17(8-10-18)19(20)24)12-16-11-21-23(14-16)13-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3,(H2,20,24)
InChIKeyMBRJKZBZJXCWCE-UHFFFAOYSA-N
XLogP1.85
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide (CID 27304169) is 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
The InChIKey is MBRJKZBZJXCWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22(27(25,26)18-9-7-17(8-10-18)19(20)24)12-16-11-21-23(14-16)13-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3,(H2,20,24).
What are the key properties of 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide?
4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide is sourced from PubChem (CID 27304169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).