2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C15H14BrNO4S — CID 1486385

IUPAC2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWGUFNABMKQUMAU-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1486385) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID1486385
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Name2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWGUFNABMKQUMAU-UHFFFAOYSA-N
XLogP2.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
CID 4104685
N-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfonylpropanamide
CID 4104620
3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 4293409
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 15988713
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N-(4-methoxyphenyl)-2-(phenylthio)propanamide
CID 2890263
3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 4109093
3-(benzenesulfonyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 4966600

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 1486385) is 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is WGUFNABMKQUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-21-13-6-4-12(5-7-13)17-15(18)10-22(19,20)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 384.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1486385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).