5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C19H19FN4O3S — CID 55813430

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-23-28(26,27)16-8-9-18(20)17(10-16)19(25)21-11-14-12-22-24(13-14)15-6-4-3-5-7-15/h3-10,12-13,23H,2,11H2,1H3,(H,21,25)
InChIKeyXFTDQFVLDDVYCE-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.24
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 55813430) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID55813430
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-23-28(26,27)16-8-9-18(20)17(10-16)19(25)21-11-14-12-22-24(13-14)15-6-4-3-5-7-15/h3-10,12-13,23H,2,11H2,1H3,(H,21,25)
InChIKeyXFTDQFVLDDVYCE-UHFFFAOYSA-N
XLogP2.24
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 55910283
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 60542557
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
3-(ethylsulfamoyl)-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848842
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 55813430) is 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is XFTDQFVLDDVYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-2-23-28(26,27)16-8-9-18(20)17(10-16)19(25)21-11-14-12-22-24(13-14)15-6-4-3-5-7-15/h3-10,12-13,23H,2,11H2,1H3,(H,21,25).
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55813430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).