5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride

C8H8ClFO3S — CID 82292288

IUPAC5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
SMILESCOc1c(C)cc(Cl)cc1S(=O)(=O)F
InChIInChI=1S/C8H8ClFO3S/c1-5-3-6(9)4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3
InChIKeyGUJVQASLAXLOAN-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.32
Rot. Bonds2

About 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride

5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride (PubChem CID 82292288) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
PubChem CID82292288
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
SMILESCOc1c(C)cc(Cl)cc1S(=O)(=O)F
InChIInChI=1S/C8H8ClFO3S/c1-5-3-6(9)4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3
InChIKeyGUJVQASLAXLOAN-UHFFFAOYSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-methoxy-4-methylbenzenesulfonyl chloride
CID 17389862
2-Methoxy-3-methyl-1-benzenesulfonyl Chloride
CID 22000404
(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 75480629
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
6-Chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
CID 141098005
3-Chloro-2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 146600916
5-chloro-3-(chloromethyl)-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65753452
5-Chloro-2-methoxy-4-methyl-benzenesulfonyl fluoride
CID 82292285
3-(Fluoromethyl)-2-methoxybenzenesulfonyl chloride
CID 84700850
5-Fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 84700863
3-(1-Fluoroethyl)-2-methoxybenzenesulfonyl chloride
CID 84707702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride?
The IUPAC name of 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride (CID 82292288) is 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride?
The canonical SMILES for 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride is COc1c(C)cc(Cl)cc1S(=O)(=O)F.
What is the InChIKey of 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride?
The InChIKey is GUJVQASLAXLOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-3-6(9)4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride?
5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride has a molecular weight of 238.67 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 82292288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).