4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride

C13H10BrClO3S — CID 43436489

IUPAC4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Oc2cccc(Br)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H10BrClO3S/c1-9-7-12(5-6-13(9)19(15,16)17)18-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyFGIATLVQQISHJZ-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.48
Rot. Bonds3

About 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride

4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride (PubChem CID 43436489) has the molecular formula C13H10BrClO3S and a molecular weight of 361.64 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
PubChem CID43436489
Molecular FormulaC13H10BrClO3S
Molecular Weight361.64 g/mol
Exact Mass359.92
IUPAC Name4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Oc2cccc(Br)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H10BrClO3S/c1-9-7-12(5-6-13(9)19(15,16)17)18-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyFGIATLVQQISHJZ-UHFFFAOYSA-N
XLogP4.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
CID 43436519
2-methyl-4-(4-propan-2-ylphenoxy)benzenesulfonyl chloride
CID 43436473
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
CID 20520967
3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride (CID 43436489) is 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride is Cc1cc(Oc2cccc(Br)c2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride?
The InChIKey is FGIATLVQQISHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO3S/c1-9-7-12(5-6-13(9)19(15,16)17)18-11-4-2-3-10(14)8-11/h2-8H,1H3.
What are the key properties of 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride?
4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride has a molecular weight of 361.64 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43436489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).