2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide

C13H10BrCl2NO2S — CID 69134197

IUPAC2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-1-8(2-4-10)5-9-6-11(15)7-12(16)13(9)20(17,18)19/h1-4,6-7H,5H2,(H2,17,18,19)
InChIKeyZBPUYGDTFQITOE-UHFFFAOYSA-N
MW395.11 g/mol
LogP3.99
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide

2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide (PubChem CID 69134197) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide
PubChem CID69134197
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cc1ccc(Br)cc1
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-1-8(2-4-10)5-9-6-11(15)7-12(16)13(9)20(17,18)19/h1-4,6-7H,5H2,(H2,17,18,19)
InChIKeyZBPUYGDTFQITOE-UHFFFAOYSA-N
XLogP3.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide (CID 69134197) is 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide is NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide?
The InChIKey is ZBPUYGDTFQITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c14-10-3-1-8(2-4-10)5-9-6-11(15)7-12(16)13(9)20(17,18)19/h1-4,6-7H,5H2,(H2,17,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide?
2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 69134197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).