2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

C15H16BrNO3S — CID 31060193

IUPAC2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO3S/c1-17(11-12-6-5-7-13(10-12)20-2)21(18,19)15-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3
InChIKeyJHMAXBHJEYUWKB-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.28
Rot. Bonds5

About 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 31060193) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID31060193
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO3S/c1-17(11-12-6-5-7-13(10-12)20-2)21(18,19)15-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3
InChIKeyJHMAXBHJEYUWKB-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-Bromo-N-[2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-ynyl)-ethyl-amino]-methyl}-phenoxy)-ethyl]-N-methyl-benzenesulfonamide
CID 15838670
2-bromo-N-[(3,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 44602044
Methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate
CID 44602047
2-bromo-N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 44602053
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-N-ethyl-4-methoxy-benzenesulfonamide
CID 742463
N-benzyl-5-bromo-2-methoxybenzenesulfonamide
CID 1073736

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 31060193) is 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1cccc(CN(C)S(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is JHMAXBHJEYUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-17(11-12-6-5-7-13(10-12)20-2)21(18,19)15-9-4-3-8-14(15)16/h3-10H,11H2,1-2H3.
What are the key properties of 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 31060193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).