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

C21H20FN3O3S — CID 90075293

IUPACN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3cccnc3)c2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c1-14-11-18(8-9-20(14)22)24-21(26)16-5-3-7-19(12-16)29(27,28)25-15(2)17-6-4-10-23-13-17/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyNWHANIUBHKGFOV-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.82
Rot. Bonds6

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

N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide (PubChem CID 90075293) 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-3-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
PubChem CID90075293
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3cccnc3)c2)ccc1F
InChIInChI=1S/C21H20FN3O3S/c1-14-11-18(8-9-20(14)22)24-21(26)16-5-3-7-19(12-16)29(27,28)25-15(2)17-6-4-10-23-13-17/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyNWHANIUBHKGFOV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24642262
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide (CID 90075293) is N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)c3cccnc3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide?
The InChIKey is NWHANIUBHKGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-14-11-18(8-9-20(14)22)24-21(26)16-5-3-7-19(12-16)29(27,28)25-15(2)17-6-4-10-23-13-17/h3-13,15,25H,1-2H3,(H,24,26).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide?
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-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-3-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 90075293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).