(5-chloro-2-methoxyphenyl)methanesulfonyl chloride

C8H8Cl2O3S — CID 47003152

IUPAC(5-chloro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O3S/c1-13-8-3-2-7(9)4-6(8)5-14(10,11)12/h2-4H,5H2,1H3
InChIKeyRBXYTWGJFABQSQ-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.42
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)methanesulfonyl chloride

(5-chloro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 47003152) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID47003152
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name(5-chloro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O3S/c1-13-8-3-2-7(9)4-6(8)5-14(10,11)12/h2-4H,5H2,1H3
InChIKeyRBXYTWGJFABQSQ-UHFFFAOYSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2-methoxyphenyl)methanesulfonyl chloride (CID 47003152) is (5-chloro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methanesulfonyl chloride is COc1ccc(Cl)cc1CS(=O)(=O)Cl.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is RBXYTWGJFABQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c1-13-8-3-2-7(9)4-6(8)5-14(10,11)12/h2-4H,5H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methanesulfonyl chloride?
(5-chloro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 255.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 47003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).