2,4-dichloro-1-propan-2-ylsulfonylbenzene

C9H10Cl2O2S — CID 22953661

IUPAC2,4-dichloro-1-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-3-7(10)5-8(9)11/h3-6H,1-2H3
InChIKeyWRQCABZMUNXWSD-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.18
Rot. Bonds2

About 2,4-dichloro-1-propan-2-ylsulfonylbenzene

2,4-dichloro-1-propan-2-ylsulfonylbenzene (PubChem CID 22953661) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 2,4-dichloro-1-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1-propan-2-ylsulfonylbenzene
PubChem CID22953661
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name2,4-dichloro-1-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-3-7(10)5-8(9)11/h3-6H,1-2H3
InChIKeyWRQCABZMUNXWSD-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-1-propan-2-ylsulfonylbenzene 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

Sulphenone
CID 6621
4,4'-Dichlorodiphenyl sulfone
CID 6625
1-Chloro-4-(methylsulfonyl)benzene
CID 7395
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
1-Chloro-4-((2-chloroethyl)sulphonyl)benzene
CID 27745
Benzenesulfonyl chloride, 2,4-dichloro-
CID 204419
1-Chloro-4-(ethenylsulfonyl)benzene
CID 21703
4-Chlorophenylsulfonylacetone
CID 521269
2,4-Bis-(methylsulfonyl)-1-chlorobenzene
CID 609765
2-(4-Chlorobenzenesulfonyl)acetonitrile
CID 735829
1,3,5-Trichloro-(2-methylsulfonyl)benzene
CID 5302365
Bis(4-Chlorophenylsulfonyl)methane
CID 520080

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-propan-2-ylsulfonylbenzene?
The IUPAC name of 2,4-dichloro-1-propan-2-ylsulfonylbenzene (CID 22953661) is 2,4-dichloro-1-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 2,4-dichloro-1-propan-2-ylsulfonylbenzene?
The canonical SMILES for 2,4-dichloro-1-propan-2-ylsulfonylbenzene is CC(C)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-propan-2-ylsulfonylbenzene?
The InChIKey is WRQCABZMUNXWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-3-7(10)5-8(9)11/h3-6H,1-2H3.
What are the key properties of 2,4-dichloro-1-propan-2-ylsulfonylbenzene?
2,4-dichloro-1-propan-2-ylsulfonylbenzene has a molecular weight of 253.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 22953661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).