(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride

C8H7Cl2FO3S — CID 84713474

IUPAC(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(11)7(8)9/h2-3H,4H2,1H3
InChIKeyAILGUGONRURUDR-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride

(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84713474) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID84713474
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(11)7(8)9/h2-3H,4H2,1H3
InChIKeyAILGUGONRURUDR-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
8-chloro-6-fluoro-2H-chromene-3-sulfonyl chloride
CID 47003568
2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride
CID 82160163
(5-Fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 83541916
(3,4-Difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 19876363
1-Chloro-2-(difluoromethoxy)-3-methylbenzene
CID 23317016
1-Chloro-4-fluoro-2-methoxy-3-methylbenzene
CID 50998425
2-Chloro-3-fluoro-6-(1-methylenepropyl)anisole
CID 66969518
1-Chloro-3-(difluoromethyl)-2-methoxybenzene
CID 68808636
[4-[2-(3-Chloro-4-methoxyphenyl)cyclopenten-1-yl]-2-fluorophenyl]methanesulfinate
CID 69877394
1-Chloro-3-methyl-2-(trifluoromethoxy)benzene
CID 71669321

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 84713474) is (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)ccc(F)c1Cl.
What is the InChIKey of (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is AILGUGONRURUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(11)7(8)9/h2-3H,4H2,1H3.
What are the key properties of (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
(3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84713474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).