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

C14H14BrNO3S — CID 986643

IUPAC4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3
InChIKeyHKTIXZGUJGCYDO-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.94
Rot. Bonds5

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

4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 986643) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID986643
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3
InChIKeyHKTIXZGUJGCYDO-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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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1092303
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 743491
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
N-benzyl-4-fluoro-3-methoxybenzenesulfonamide
CID 700246
N-benzyl-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 1258225
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
N-benzyl-5-bromo-2-methoxybenzenesulfonamide
CID 1073736
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 986643) is 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is HKTIXZGUJGCYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3.
What are the key properties of 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-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 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 986643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).