N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide

C21H20FN3O3S — CID 90075337

IUPACN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3ccncc3)c2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c1-14-12-18(6-7-20(14)22)24-21(26)17-4-3-5-19(13-17)29(27,28)25-15(2)16-8-10-23-11-9-16/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyZIKHDSDTOUOWDL-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.82
Rot. Bonds6

About N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide

N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide (PubChem CID 90075337) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
PubChem CID90075337
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3ccncc3)c2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c1-14-12-18(6-7-20(14)22)24-21(26)17-4-3-5-19(13-17)29(27,28)25-15(2)16-8-10-23-11-9-16/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyZIKHDSDTOUOWDL-UHFFFAOYSA-N
XLogP3.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide (CID 90075337) is N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3ccncc3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide?
The InChIKey is ZIKHDSDTOUOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-14-12-18(6-7-20(14)22)24-21(26)17-4-3-5-19(13-17)29(27,28)25-15(2)16-8-10-23-11-9-16/h3-13,15,25H,1-2H3,(H,24,26).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide?
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide has a molecular weight of 413.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 90075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).