3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide

C12H7Br2Cl2NO3S — CID 107659863

IUPAC3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C12H7Br2Cl2NO3S/c13-7-4-10(16)12(5-9(7)15)20-11-2-1-6(3-8(11)14)21(17,18)19/h1-5H,(H2,17,18,19)
InChIKeyXLIZLDCQHBXWKN-UHFFFAOYSA-N
MW475.97 g/mol
LogP4.96
Rot. Bonds3

About 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide

3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide (PubChem CID 107659863) has the molecular formula C12H7Br2Cl2NO3S and a molecular weight of 475.97 g/mol. Its IUPAC name is 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
PubChem CID107659863
Molecular FormulaC12H7Br2Cl2NO3S
Molecular Weight475.97 g/mol
Exact Mass472.79
IUPAC Name3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C12H7Br2Cl2NO3S/c13-7-4-10(16)12(5-9(7)15)20-11-2-1-6(3-8(11)14)21(17,18)19/h1-5H,(H2,17,18,19)
InChIKeyXLIZLDCQHBXWKN-UHFFFAOYSA-N
XLogP4.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
CID 82898890
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzonitrile
CID 107658012
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
3-(4-bromo-2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 112749266
3-amino-4-(4-bromo-2,5-dichlorophenoxy)benzoic acid
CID 107659943
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide (CID 107659863) is 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide?
The InChIKey is XLIZLDCQHBXWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl2NO3S/c13-7-4-10(16)12(5-9(7)15)20-11-2-1-6(3-8(11)14)21(17,18)19/h1-5H,(H2,17,18,19).
What are the key properties of 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide?
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide has a molecular weight of 475.97 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide is sourced from PubChem (CID 107659863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).