2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide

C13H15FN4O3S — CID 74242651

IUPAC2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide
SMILESCN(CCn1cccn1)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H15FN4O3S/c1-17(7-8-18-6-2-5-16-18)13(19)11-9-10(22(15,20)21)3-4-12(11)14/h2-6,9H,7-8H2,1H3,(H2,15,20,21)
InChIKeyPJVXTAGGRIAIOK-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.44
Rot. Bonds5

About 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide

2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide (PubChem CID 74242651) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide
PubChem CID74242651
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC Name2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide
SMILESCN(CCn1cccn1)C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H15FN4O3S/c1-17(7-8-18-6-2-5-16-18)13(19)11-9-10(22(15,20)21)3-4-12(11)14/h2-6,9H,7-8H2,1H3,(H2,15,20,21)
InChIKeyPJVXTAGGRIAIOK-UHFFFAOYSA-N
XLogP0.44
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide (CID 74242651) is 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide is CN(CCn1cccn1)C(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide?
The InChIKey is PJVXTAGGRIAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-17(7-8-18-6-2-5-16-18)13(19)11-9-10(22(15,20)21)3-4-12(11)14/h2-6,9H,7-8H2,1H3,(H2,15,20,21).
What are the key properties of 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide?
2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide has a molecular weight of 326.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 74242651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).