4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

C14H11Cl2FO3S — CID 102615316

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H11Cl2FO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(17)2-4-13(10)15/h2-7H,8H2,1H3
InChIKeyFYQZCPGVZQJYRD-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.29
Rot. Bonds4

About 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride

4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (PubChem CID 102615316) has the molecular formula C14H11Cl2FO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
PubChem CID102615316
Molecular FormulaC14H11Cl2FO3S
Molecular Weight349.21 g/mol
Exact Mass347.98
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H11Cl2FO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(17)2-4-13(10)15/h2-7H,8H2,1H3
InChIKeyFYQZCPGVZQJYRD-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chloro-5-fluorophenoxy)-2-(difluoromethyl)-4-(trifluoromethylsulfonyl)benzene
CID 122506359
[2-(3-Chloro-5-fluorophenoxy)-5-(trifluoromethylsulfonyl)phenyl]methanol
CID 117942479
3-Chloro-1-(3-chloro-5-fluorophenoxy)-2-methyl-4-(trifluoromethylsulfonyl)benzene
CID 117942411
1-(3-Chloro-5-fluorophenoxy)-4-(difluoromethylsulfonyl)-2-methylbenzene
CID 117942418
1-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72193354
2-(3-Chloro-5-fluorophenoxy)-5-methylsulfonylbenzonitrile
CID 117942798
2-[2-(3-Chloro-5-fluorophenoxy)-5-(trifluoromethylsulfonyl)phenyl]ethanol
CID 117947033
4-(2-Methylphenoxy)benzene-1-sulfonyl chloride
CID 2794712
4-Ethoxy-3-methylbenzenesulfonyl chloride
CID 17389860
4-(Benzyloxy)-3-fluorobenzene-1-sulfonyl chloride
CID 20114091
4-Ethoxy-3-phenylbenzene-1-sulfonyl chloride
CID 43246996
4-(3-Chloro-2-cyanophenoxy)benzenesulfonyl chloride
CID 2776917

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride (CID 102615316) is 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
The InChIKey is FYQZCPGVZQJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO3S/c1-9-6-12(21(16,18)19)3-5-14(9)20-8-10-7-11(17)2-4-13(10)15/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride?
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride has a molecular weight of 349.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 102615316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).