N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

C21H18BrFN2O3S — CID 3605573

IUPACN-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C21H18BrFN2O3S/c1-2-25(18-6-4-3-5-7-18)29(27,28)20-14-15(8-13-19(20)23)21(26)24-17-11-9-16(22)10-12-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyVSNCBYWRUMCMMO-UHFFFAOYSA-N
MW477.36 g/mol
LogP5.06
Rot. Bonds6

About N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (PubChem CID 3605573) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
PubChem CID3605573
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C21H18BrFN2O3S/c1-2-25(18-6-4-3-5-7-18)29(27,28)20-14-15(8-13-19(20)23)21(26)24-17-11-9-16(22)10-12-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyVSNCBYWRUMCMMO-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzene-1-sulfonamide
CID 24816976
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
4-methyl-N-phenyl-3-(phenylsulfamoyl)benzamide
CID 1246311
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The IUPAC name of N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (CID 3605573) is N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F.
What is the InChIKey of N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The InChIKey is VSNCBYWRUMCMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-2-25(18-6-4-3-5-7-18)29(27,28)20-14-15(8-13-19(20)23)21(26)24-17-11-9-16(22)10-12-17/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide has a molecular weight of 477.36 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is sourced from PubChem (CID 3605573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).