5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide

C15H14BrCl2NO3S — CID 3746979

IUPAC5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2NO3S/c1-22-14-5-3-11(16)9-15(14)23(20,21)19-7-6-10-2-4-12(17)13(18)8-10/h2-5,8-9,19H,6-7H2,1H3
InChIKeyGBDDINYIJLUIID-UHFFFAOYSA-N
MW439.16 g/mol
LogP4.29
Rot. Bonds6

About 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 3746979) has the molecular formula C15H14BrCl2NO3S and a molecular weight of 439.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID3746979
Molecular FormulaC15H14BrCl2NO3S
Molecular Weight439.16 g/mol
Exact Mass436.93
IUPAC Name5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2NO3S/c1-22-14-5-3-11(16)9-15(14)23(20,21)19-7-6-10-2-4-12(17)13(18)8-10/h2-5,8-9,19H,6-7H2,1H3
InChIKeyGBDDINYIJLUIID-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.16
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63331083
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 3746979) is 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GBDDINYIJLUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO3S/c1-22-14-5-3-11(16)9-15(14)23(20,21)19-7-6-10-2-4-12(17)13(18)8-10/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 439.16 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3746979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).