5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

C19H19FN4O3S — CID 55932658

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-22-28(26,27)15-8-9-17(20)16(12-15)19(25)23-18-7-4-3-6-14(18)13-24-11-5-10-21-24/h3-12,22H,2,13H2,1H3,(H,23,25)
InChIKeyRGVJTZIBKYTYRH-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.62
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55932658) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55932658
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C19H19FN4O3S/c1-2-22-28(26,27)15-8-9-17(20)16(12-15)19(25)23-18-7-4-3-6-14(18)13-24-11-5-10-21-24/h3-12,22H,2,13H2,1H3,(H,23,25)
InChIKeyRGVJTZIBKYTYRH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
2-nitro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 43068749
5-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4685317
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55645265
3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55674016
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55932658) is 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is RGVJTZIBKYTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-2-22-28(26,27)15-8-9-17(20)16(12-15)19(25)23-18-7-4-3-6-14(18)13-24-11-5-10-21-24/h3-12,22H,2,13H2,1H3,(H,23,25).
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.62, 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-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).