4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

C15H14BrCl2NO3S — CID 30328481

IUPAC4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H14BrCl2NO3S/c1-19(9-10-5-3-4-6-14(10)22-2)23(20,21)15-12(17)7-11(16)8-13(15)18/h3-8H,9H2,1-2H3
InChIKeyWPBPBPJFYDMOMJ-UHFFFAOYSA-N
MW439.16 g/mol
LogP4.59
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 30328481) has the molecular formula C15H14BrCl2NO3S and a molecular weight of 439.16 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID30328481
Molecular FormulaC15H14BrCl2NO3S
Molecular Weight439.16 g/mol
Exact Mass436.93
IUPAC Name4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H14BrCl2NO3S/c1-19(9-10-5-3-4-6-14(10)22-2)23(20,21)15-12(17)7-11(16)8-13(15)18/h3-8H,9H2,1-2H3
InChIKeyWPBPBPJFYDMOMJ-UHFFFAOYSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.16
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 30328481) is 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is WPBPBPJFYDMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO3S/c1-19(9-10-5-3-4-6-14(10)22-2)23(20,21)15-12(17)7-11(16)8-13(15)18/h3-8H,9H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 439.16 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 30328481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).