4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole

C12H16N4O2S — CID 54895504

IUPAC4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCN(Cc1ccccc1)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)15-9-12-7-13-14-8-12/h2-8,15H,9-10H2,1H3,(H,13,14)
InChIKeyXAEOQACUAFSMDB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.88
Rot. Bonds6

About 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole

4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (PubChem CID 54895504) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
PubChem CID54895504
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
SMILESCN(Cc1ccccc1)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)15-9-12-7-13-14-8-12/h2-8,15H,9-10H2,1H3,(H,13,14)
InChIKeyXAEOQACUAFSMDB-UHFFFAOYSA-N
XLogP0.88
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The IUPAC name of 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole (CID 54895504) is 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole.
What is the SMILES notation for 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The canonical SMILES for 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is CN(Cc1ccccc1)S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
The InChIKey is XAEOQACUAFSMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16(10-11-5-3-2-4-6-11)19(17,18)15-9-12-7-13-14-8-12/h2-8,15H,9-10H2,1H3,(H,13,14).
What are the key properties of 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole?
4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole has a molecular weight of 280.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole is sourced from PubChem (CID 54895504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).