4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

C14H11ClF2O3S — CID 114930150

IUPAC4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2O3S/c1-9-7-10(21(15,18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3
InChIKeyCJJHJWNYLYKTNB-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.78
Rot. Bonds4

About 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (PubChem CID 114930150) has the molecular formula C14H11ClF2O3S and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
PubChem CID114930150
Molecular FormulaC14H11ClF2O3S
Molecular Weight332.76 g/mol
Exact Mass332.01
IUPAC Name4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11ClF2O3S/c1-9-7-10(21(15,18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3
InChIKeyCJJHJWNYLYKTNB-UHFFFAOYSA-N
XLogP3.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 102855854
4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
CID 144861297
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 82915914
3-methyl-4-(3-methylbut-2-enoxy)benzenesulfonyl chloride
CID 82918022
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 62126152

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (CID 114930150) is 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1OCc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The InChIKey is CJJHJWNYLYKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O3S/c1-9-7-10(21(15,18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3.
What are the key properties of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride has a molecular weight of 332.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 114930150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).