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

C15H14BrNO4S — CID 56663334

IUPACN-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLOLCZXRSTYWMQO-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.51
Rot. Bonds5

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

N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide (PubChem CID 56663334) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide
PubChem CID56663334
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC NameN-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLOLCZXRSTYWMQO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide (CID 56663334) is N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is LOLCZXRSTYWMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide?
N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 384.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 56663334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).