2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide

C15H16BrNO4S — CID 3848456

IUPAC2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO4S/c1-20-12-7-8-14(21-2)11(9-12)10-17-22(18,19)15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3
InChIKeyMIYDSZRMEGKGCR-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.94
Rot. Bonds6

About 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide

2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 3848456) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID3848456
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Name2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO4S/c1-20-12-7-8-14(21-2)11(9-12)10-17-22(18,19)15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3
InChIKeyMIYDSZRMEGKGCR-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 1258225
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
Methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate
CID 44602047
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
CID 45479960
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507
4-bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 986643
2-bromo-4-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46902208
2,5-dibromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
CID 46902211
2,5-dibromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 16302699
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]-N-(2-oxobutyl)benzenesulfonamide
CID 44825376
2-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 8317140
2-Bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 5014696

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide (CID 3848456) is 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(OC)c(CNS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MIYDSZRMEGKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-20-12-7-8-14(21-2)11(9-12)10-17-22(18,19)15-6-4-3-5-13(15)16/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide?
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3848456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).