(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride

C9H11ClO5S2 — CID 117481130

IUPAC(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1S(C)(=O)=O
InChIInChI=1S/C9H11ClO5S2/c1-15-8-5-3-4-7(6-17(10,13)14)9(8)16(2,11)12/h3-5H,6H2,1-2H3
InChIKeyRMGPQERQTFKKOR-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.17
Rot. Bonds4

About (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride

(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride (PubChem CID 117481130) has the molecular formula C9H11ClO5S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
PubChem CID117481130
Molecular FormulaC9H11ClO5S2
Molecular Weight298.77 g/mol
Exact Mass297.97
IUPAC Name(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1S(C)(=O)=O
InChIInChI=1S/C9H11ClO5S2/c1-15-8-5-3-4-7(6-17(10,13)14)9(8)16(2,11)12/h3-5H,6H2,1-2H3
InChIKeyRMGPQERQTFKKOR-UHFFFAOYSA-N
XLogP1.17
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
CID 117330971
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
CID 84710902
[2-(difluoromethyl)-6-methoxyphenyl]methanesulfonyl chloride
CID 117429504
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride (CID 117481130) is (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride is COc1cccc(CS(=O)(=O)Cl)c1S(C)(=O)=O.
What is the InChIKey of (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
The InChIKey is RMGPQERQTFKKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S2/c1-15-8-5-3-4-7(6-17(10,13)14)9(8)16(2,11)12/h3-5H,6H2,1-2H3.
What are the key properties of (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride?
(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride has a molecular weight of 298.77 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117481130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).