3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide

C22H20ClFN2O3S — CID 4229430

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C22H20ClFN2O3S/c1-2-26(15-16-7-4-3-5-8-16)30(28,29)21-13-17(11-12-20(21)24)22(27)25-19-10-6-9-18(23)14-19/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyOWNZVQPHYUDYPQ-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.94
Rot. Bonds7

About 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide

3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide (PubChem CID 4229430) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
PubChem CID4229430
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C22H20ClFN2O3S/c1-2-26(15-16-7-4-3-5-8-16)30(28,29)21-13-17(11-12-20(21)24)22(27)25-19-10-6-9-18(23)14-19/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyOWNZVQPHYUDYPQ-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
3-[benzyl(2-phenylethyl)sulfamoyl]-4-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 4089868
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
3-(diethylsulfamoyl)-4-fluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55608986
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide (CID 4229430) is 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide?
The InChIKey is OWNZVQPHYUDYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-2-26(15-16-7-4-3-5-8-16)30(28,29)21-13-17(11-12-20(21)24)22(27)25-19-10-6-9-18(23)14-19/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide has a molecular weight of 446.93 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 4229430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).