5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride

C11H13Cl2NO4S — CID 82921083

IUPAC5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3
InChIKeyWCAVEKOPFOAPBB-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.12
Rot. Bonds5

About 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride

5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82921083) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82921083
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
SMILESCCN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3
InChIKeyWCAVEKOPFOAPBB-UHFFFAOYSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.12
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-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82910581
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride (CID 82921083) is 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride is CCN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is WCAVEKOPFOAPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3.
What are the key properties of 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 326.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82921083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).