3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide

C12H7BrCl3NO2S — CID 153410005

IUPAC3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2cccc(Cl)c2Cl)ccc(Br)c1Cl
InChIInChI=1S/C12H7BrCl3NO2S/c13-8-5-4-7(12(11(8)16)20(17,18)19)6-2-1-3-9(14)10(6)15/h1-5H,(H2,17,18,19)
InChIKeyYRWVHVQIALTABD-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.72
Rot. Bonds2

About 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide

3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide (PubChem CID 153410005) has the molecular formula C12H7BrCl3NO2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
PubChem CID153410005
Molecular FormulaC12H7BrCl3NO2S
Molecular Weight415.52 g/mol
Exact Mass412.84
IUPAC Name3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2cccc(Cl)c2Cl)ccc(Br)c1Cl
InChIInChI=1S/C12H7BrCl3NO2S/c13-8-5-4-7(12(11(8)16)20(17,18)19)6-2-1-3-9(14)10(6)15/h1-5H,(H2,17,18,19)
InChIKeyYRWVHVQIALTABD-UHFFFAOYSA-N
XLogP4.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide (CID 153410005) is 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide is NS(=O)(=O)c1c(-c2cccc(Cl)c2Cl)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide?
The InChIKey is YRWVHVQIALTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3NO2S/c13-8-5-4-7(12(11(8)16)20(17,18)19)6-2-1-3-9(14)10(6)15/h1-5H,(H2,17,18,19).
What are the key properties of 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide?
3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 153410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).