2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide

C17H16BrNO4S — CID 2766967

IUPAC2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide
SMILESNC(=O)C(CCC(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16BrNO4S/c18-13-8-6-12(7-9-13)15(20)10-11-16(17(19)21)24(22,23)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,19,21)
InChIKeyOODMAZKUKVWGSY-UHFFFAOYSA-N
MW410.29 g/mol
LogP2.74
Rot. Bonds7

About 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide

2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide (PubChem CID 2766967) has the molecular formula C17H16BrNO4S and a molecular weight of 410.29 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide
PubChem CID2766967
Molecular FormulaC17H16BrNO4S
Molecular Weight410.29 g/mol
Exact Mass409.00
IUPAC Name2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide
SMILESNC(=O)C(CCC(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16BrNO4S/c18-13-8-6-12(7-9-13)15(20)10-11-16(17(19)21)24(22,23)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,19,21)
InChIKeyOODMAZKUKVWGSY-UHFFFAOYSA-N
XLogP2.74
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(benzenesulfonyl)-3-(4-bromophenyl)-3-oxopropanoate
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(2S)-2-amino-6-(4-bromophenyl)-6-oxohexanoic acid
CID 106702640
2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide
CID 70016499
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(benzenesulfonyl)-4-hydroxybutanoic acid
CID 135331065
1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
CID 602905
ethyl 2-(4-bromophenyl)sulfonyl-3-oxo-3-phenylpropanoate
CID 141375237
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
3-amino-3-(4-bromophenyl)sulfonylpropanoic acid
CID 117037426
4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
CID 154707235
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide?
The IUPAC name of 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide (CID 2766967) is 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide?
The canonical SMILES for 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide is NC(=O)C(CCC(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide?
The InChIKey is OODMAZKUKVWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4S/c18-13-8-6-12(7-9-13)15(20)10-11-16(17(19)21)24(22,23)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,19,21).
What are the key properties of 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide?
2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide has a molecular weight of 410.29 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide is sourced from PubChem (CID 2766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).