N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide

C14H12BrNO3S — CID 47108713

IUPACN-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12BrNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyIVYRMPKFFMKMCU-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.50
Rot. Bonds4

About N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide

N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide (PubChem CID 47108713) has the molecular formula C14H12BrNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
PubChem CID47108713
Molecular FormulaC14H12BrNO3S
Molecular Weight354.23 g/mol
Exact Mass352.97
IUPAC NameN-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12BrNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyIVYRMPKFFMKMCU-UHFFFAOYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(4-bromophenyl)sulfonyl-2-cyanoacetamide
CID 3848707
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide (CID 47108713) is N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide?
The InChIKey is IVYRMPKFFMKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide?
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide has a molecular weight of 354.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 47108713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).