5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride

C10H11Cl2NO4S — CID 82921081

IUPAC5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-13(2)10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,6H2,1-2H3
InChIKeyUJVSHQNQKDFVBT-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.73
Rot. Bonds4

About 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride

5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82921081) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82921081
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11Cl2NO4S/c1-13(2)10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,6H2,1-2H3
InChIKeyUJVSHQNQKDFVBT-UHFFFAOYSA-N
XLogP1.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82910581
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
CID 82921995
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82921081) is 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride is CN(C)C(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is UJVSHQNQKDFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-13(2)10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 312.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82921081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).