2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride

C14H12BrClO3S — CID 43111244

IUPAC2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2cccc(Br)c2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H12BrClO3S/c1-10-5-6-13(14(7-10)20(16,17)18)19-9-11-3-2-4-12(15)8-11/h2-8H,9H2,1H3
InChIKeyNSPQKRBZAXERHS-UHFFFAOYSA-N
MW375.67 g/mol
LogP4.26
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride

2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 43111244) has the molecular formula C14H12BrClO3S and a molecular weight of 375.67 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
PubChem CID43111244
Molecular FormulaC14H12BrClO3S
Molecular Weight375.67 g/mol
Exact Mass373.94
IUPAC Name2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2cccc(Br)c2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H12BrClO3S/c1-10-5-6-13(14(7-10)20(16,17)18)19-9-11-3-2-4-12(15)8-11/h2-8H,9H2,1H3
InChIKeyNSPQKRBZAXERHS-UHFFFAOYSA-N
XLogP4.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 61028881
5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonyl chloride
CID 82910903
5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
CID 63216758
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
2-[(3-bromophenyl)methoxy]-5-methylsulfonylaniline
CID 82828789
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 63216968
2-[(E)-but-2-enoxy]-5-methylbenzenesulfonyl chloride
CID 82909624
5-methyl-2-(2-methylbutoxy)benzenesulfonyl chloride
CID 78986414
2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82909777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride (CID 43111244) is 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride is Cc1ccc(OCc2cccc(Br)c2)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is NSPQKRBZAXERHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO3S/c1-10-5-6-13(14(7-10)20(16,17)18)19-9-11-3-2-4-12(15)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 375.67 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43111244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).