2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride

C11H10Cl3NO4S — CID 82910142

IUPAC2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl)NC1CC1
InChIInChI=1S/C11H10Cl3NO4S/c12-7-4-10(20(14,17)18)8(13)3-9(7)19-5-11(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyWTLIPGMSRQXVMH-UHFFFAOYSA-N
MW358.63 g/mol
LogP2.58
Rot. Bonds5

About 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride

2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82910142) has the molecular formula C11H10Cl3NO4S and a molecular weight of 358.63 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82910142
Molecular FormulaC11H10Cl3NO4S
Molecular Weight358.63 g/mol
Exact Mass356.94
IUPAC Name2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl)NC1CC1
InChIInChI=1S/C11H10Cl3NO4S/c12-7-4-10(20(14,17)18)8(13)3-9(7)19-5-11(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyWTLIPGMSRQXVMH-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
CID 82910233
4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
CID 82910553
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65458261
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293677
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
CID 82911512

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82910142) is 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride is O=C(COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl)NC1CC1.
What is the InChIKey of 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is WTLIPGMSRQXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO4S/c12-7-4-10(20(14,17)18)8(13)3-9(7)19-5-11(16)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16).
What are the key properties of 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 358.63 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).