4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride

C12H7BrCl2O3S — CID 43114279

IUPAC4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrCl2O3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H
InChIKeyLJYVENXULYSHCS-UHFFFAOYSA-N
MW382.06 g/mol
LogP4.82
Rot. Bonds3

About 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride

4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride (PubChem CID 43114279) has the molecular formula C12H7BrCl2O3S and a molecular weight of 382.06 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
PubChem CID43114279
Molecular FormulaC12H7BrCl2O3S
Molecular Weight382.06 g/mol
Exact Mass379.87
IUPAC Name4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrCl2O3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H
InChIKeyLJYVENXULYSHCS-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride
CID 86023753
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
CID 82717120
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354
4-bromobenzenesulfonyl chloride
CID 174561770
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride (CID 43114279) is 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride?
The InChIKey is LJYVENXULYSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2O3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride?
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride has a molecular weight of 382.06 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 43114279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).