5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C22H25FN4O3S — CID 27053212

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C22H25FN4O3S/c1-3-27(4-2)31(29,30)19-10-11-21(23)20(14-19)22(28)24-15-17-6-8-18(9-7-17)16-26-13-5-12-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyGVFCJULSOFRIMS-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.03
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 27053212) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID27053212
Molecular FormulaC22H25FN4O3S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C22H25FN4O3S/c1-3-27(4-2)31(29,30)19-10-11-21(23)20(14-19)22(28)24-15-17-6-8-18(9-7-17)16-26-13-5-12-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28)
InChIKeyGVFCJULSOFRIMS-UHFFFAOYSA-N
XLogP3.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(benzenesulfonyl)-2-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298537
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(2-fluorophenyl)sulfonyl-3-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298585
N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
CID 135298595
N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298598
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrazol-1-ylbenzohydrazide
CID 135298637
N'-(2-fluorophenyl)sulfonyl-3-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298640
N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
CID 135298776
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298783
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 27053212) is 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is GVFCJULSOFRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-3-27(4-2)31(29,30)19-10-11-21(23)20(14-19)22(28)24-15-17-6-8-18(9-7-17)16-26-13-5-12-25-26/h5-14H,3-4,15-16H2,1-2H3,(H,24,28).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27053212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).