4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride

C14H12Cl2O3S — CID 60725527

IUPAC4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2ccccc2Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H12Cl2O3S/c1-10-8-12(6-7-14(10)20(16,17)18)19-9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3
InChIKeySZFBJVNRLGLPFN-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.15
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride

4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride (PubChem CID 60725527) has the molecular formula C14H12Cl2O3S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
PubChem CID60725527
Molecular FormulaC14H12Cl2O3S
Molecular Weight331.22 g/mol
Exact Mass329.99
IUPAC Name4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCc2ccccc2Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H12Cl2O3S/c1-10-8-12(6-7-14(10)20(16,17)18)19-9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3
InChIKeySZFBJVNRLGLPFN-UHFFFAOYSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855
4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 103046517
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277624
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82917403
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride (CID 60725527) is 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride is Cc1cc(OCc2ccccc2Cl)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
The InChIKey is SZFBJVNRLGLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S/c1-10-8-12(6-7-14(10)20(16,17)18)19-9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride?
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride has a molecular weight of 331.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 60725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).