3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide

C17H18BrNO3S — CID 3457957

IUPAC3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO3S/c1-2-13-5-3-4-6-16(13)19-17(20)11-12-23(21,22)15-9-7-14(18)8-10-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyMNOZDIQAOLEGBE-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide (PubChem CID 3457957) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide
PubChem CID3457957
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO3S/c1-2-13-5-3-4-6-16(13)19-17(20)11-12-23(21,22)15-9-7-14(18)8-10-15/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyMNOZDIQAOLEGBE-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 1365184
3-(4-bromophenyl)sulfonyl-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 4109100
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
4-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-2-methyl-1-(3-methylphenyl)piperazine
CID 4293414
N-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 16194204
3-[(5-bromo-2-thienyl)sulfonyl]-N-(o-tolyl)propionamide
CID 15992306
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4639270

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide (CID 3457957) is 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
The InChIKey is MNOZDIQAOLEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-2-13-5-3-4-6-16(13)19-17(20)11-12-23(21,22)15-9-7-14(18)8-10-15/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide has a molecular weight of 396.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 3457957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).