4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C14H14BrNO3S — CID 6734865

IUPAC4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-19-13-4-2-3-11(9-13)10-16-20(17,18)14-7-5-12(15)6-8-14/h2-9,16H,10H2,1H3
InChIKeyHMUZKXWNKBXRCU-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.94
Rot. Bonds5

About 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 6734865) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID6734865
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNO3S/c1-19-13-4-2-3-11(9-13)10-16-20(17,18)14-7-5-12(15)6-8-14/h2-9,16H,10H2,1H3
InChIKeyHMUZKXWNKBXRCU-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
4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1092303
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-benzyl-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 1258225
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
1-(4-Bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3237723
1-(4-Bromobenzenesulfonyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 3654689
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-(3-methylbutyl)benzenesulfonamide
CID 45479956
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
CID 45479960
N-benzyl-5-bromo-2-methoxybenzenesulfonamide
CID 1073736
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507
4-bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 986643

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 6734865) is 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is HMUZKXWNKBXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-13-4-2-3-11(9-13)10-16-20(17,18)14-7-5-12(15)6-8-14/h2-9,16H,10H2,1H3.
What are the key properties of 4-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
4-bromo-N-[(3-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-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 6734865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).