2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride

C10H11Cl3O2S — CID 82308452

IUPAC2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3O2S/c1-10(2,6-16(13,14)15)8-4-3-7(11)5-9(8)12/h3-5H,6H2,1-2H3
InChIKeyUQZNCABCANVGNL-UHFFFAOYSA-N
MW301.62 g/mol
LogP3.84
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride

2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride (PubChem CID 82308452) has the molecular formula C10H11Cl3O2S and a molecular weight of 301.62 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
PubChem CID82308452
Molecular FormulaC10H11Cl3O2S
Molecular Weight301.62 g/mol
Exact Mass299.95
IUPAC Name2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3O2S/c1-10(2,6-16(13,14)15)8-4-3-7(11)5-9(8)12/h3-5H,6H2,1-2H3
InChIKeyUQZNCABCANVGNL-UHFFFAOYSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)methanesulfonyl chloride
CID 227304
(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
2-(2-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757778
(2,6-Dichlorophenyl)methanesulfonyl chloride
CID 594465
(2,4-Dichlorophenyl)methanesulfonyl chloride
CID 594471
2-(4-Chlorophenyl)ethane-1-sulfonamide
CID 17803495
1,3-Dichloro-2-(methylsulfonylmethyl)benzene
CID 2804072
Benzene, 1-chloro-4-((2-(methylsulfonyl)ethenyl)-
CID 5463475
Sulfone, p-chlorobenzyl methyl
CID 6453790
2-(2,6-Dichlorophenyl)ethane-1-sulfonyl chloride
CID 13237411
2-(3-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757779
2-(4-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757780

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride (CID 82308452) is 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride is CC(C)(CS(=O)(=O)Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is UQZNCABCANVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O2S/c1-10(2,6-16(13,14)15)8-4-3-7(11)5-9(8)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride?
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 301.62 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 82308452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).