(3,4-diethylphenyl)methanesulfonyl chloride

C11H15ClO2S — CID 117369333

IUPAC(3,4-diethylphenyl)methanesulfonyl chloride
SMILESCCc1ccc(CS(=O)(=O)Cl)cc1CC
InChIInChI=1S/C11H15ClO2S/c1-3-10-6-5-9(7-11(10)4-2)8-15(12,13)14/h5-7H,3-4,8H2,1-2H3
InChIKeyVUQWOKGFBSKHSG-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.88
Rot. Bonds4

About (3,4-diethylphenyl)methanesulfonyl chloride

(3,4-diethylphenyl)methanesulfonyl chloride (PubChem CID 117369333) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is (3,4-diethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,4-diethylphenyl)methanesulfonyl chloride
PubChem CID117369333
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name(3,4-diethylphenyl)methanesulfonyl chloride
SMILESCCc1ccc(CS(=O)(=O)Cl)cc1CC
InChIInChI=1S/C11H15ClO2S/c1-3-10-6-5-9(7-11(10)4-2)8-15(12,13)14/h5-7H,3-4,8H2,1-2H3
InChIKeyVUQWOKGFBSKHSG-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
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1,2-diethyl-4-propylbenzene
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(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride
CID 84714016
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
CID 84709599
(3-methylbenzotriazol-5-yl)methanesulfonyl chloride
CID 84705364
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)methanesulfonyl chloride?
The IUPAC name of (3,4-diethylphenyl)methanesulfonyl chloride (CID 117369333) is (3,4-diethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,4-diethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3,4-diethylphenyl)methanesulfonyl chloride is CCc1ccc(CS(=O)(=O)Cl)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)methanesulfonyl chloride?
The InChIKey is VUQWOKGFBSKHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-3-10-6-5-9(7-11(10)4-2)8-15(12,13)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (3,4-diethylphenyl)methanesulfonyl chloride?
(3,4-diethylphenyl)methanesulfonyl chloride has a molecular weight of 246.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117369333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).