(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride

C9H11ClO5S2 — CID 117481135

IUPAC(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(S(C)(=O)=O)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO5S2/c1-15-9-4-3-8(16(2,11)12)5-7(9)6-17(10,13)14/h3-5H,6H2,1-2H3
InChIKeyWLXKBOPDPSVABC-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.17
Rot. Bonds4

About (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride

(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride (PubChem CID 117481135) has the molecular formula C9H11ClO5S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
PubChem CID117481135
Molecular FormulaC9H11ClO5S2
Molecular Weight298.77 g/mol
Exact Mass297.97
IUPAC Name(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCOc1ccc(S(C)(=O)=O)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO5S2/c1-15-9-4-3-8(16(2,11)12)5-7(9)6-17(10,13)14/h3-5H,6H2,1-2H3
InChIKeyWLXKBOPDPSVABC-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

4-(2-methoxy-5-methylsulfonylphenyl)butanoic acid
CID 117433758
(3-methoxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481130
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
N-[(2-methoxy-4-methylsulfonylphenyl)methyl]formamide
CID 87126767
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
3-(3-ethyl-4-methoxyphenyl)sulfonylpropanenitrile
CID 116855311
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052
1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
CID 84710861

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride (CID 117481135) is (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride is COc1ccc(S(C)(=O)=O)cc1CS(=O)(=O)Cl.
What is the InChIKey of (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride?
The InChIKey is WLXKBOPDPSVABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S2/c1-15-9-4-3-8(16(2,11)12)5-7(9)6-17(10,13)14/h3-5H,6H2,1-2H3.
What are the key properties of (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride?
(2-methoxy-5-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 (2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117481135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).