2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride

C11H14ClNO4S — CID 82910026

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCC(=O)N(C)C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8-4-5-9(10(6-8)18(12,15)16)17-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyZWROKCICUDPLCZ-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride

2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 82910026) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
PubChem CID82910026
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCC(=O)N(C)C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-8-4-5-9(10(6-8)18(12,15)16)17-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyZWROKCICUDPLCZ-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
5-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911896
5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82911716
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82909707
5-methyl-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzenesulfonyl chloride
CID 82911879
5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82910581
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
(2-chlorosulfonyl-4-methylphenyl) acetate
CID 55279906
2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 61028881
2-[(E)-but-2-enoxy]-5-methylbenzenesulfonyl chloride
CID 82909624
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride (CID 82910026) is 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride is Cc1ccc(OCC(=O)N(C)C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is ZWROKCICUDPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-8-4-5-9(10(6-8)18(12,15)16)17-7-11(14)13(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride?
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 291.76 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82910026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).