2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H14BrNO3S — CID 5014696

IUPAC2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-12-8-6-11(7-9-12)10-16-20(17,18)14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3
InChIKeyOAULOUZAWYTKAF-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.94
Rot. Bonds5

About 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 5014696) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID5014696
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-12-8-6-11(7-9-12)10-16-20(17,18)14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3
InChIKeyOAULOUZAWYTKAF-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 5014696) is 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is OAULOUZAWYTKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-12-8-6-11(7-9-12)10-16-20(17,18)14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3.
What are the key properties of 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 5014696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).