2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene

C20H24Cl2O2S — CID 139625306

IUPAC2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene
SMILESCc1ccc(C(C)(C)S(=O)(=O)C(C)(C)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H24Cl2O2S/c1-13-7-9-15(11-17(13)21)19(3,4)25(23,24)20(5,6)16-10-8-14(2)18(22)12-16/h7-12H,1-6H3
InChIKeyCQZDMZYYPYRVBM-UHFFFAOYSA-N
MW399.38 g/mol
LogP6.20
Rot. Bonds4

About 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene

2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene (PubChem CID 139625306) has the molecular formula C20H24Cl2O2S and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene
PubChem CID139625306
Molecular FormulaC20H24Cl2O2S
Molecular Weight399.38 g/mol
Exact Mass398.09
IUPAC Name2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene
SMILESCc1ccc(C(C)(C)S(=O)(=O)C(C)(C)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H24Cl2O2S/c1-13-7-9-15(11-17(13)21)19(3,4)25(23,24)20(5,6)16-10-8-14(2)18(22)12-16/h7-12H,1-6H3
InChIKeyCQZDMZYYPYRVBM-UHFFFAOYSA-N
XLogP6.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene 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

2-chloro-4-(1-fluoro-1-isocyanatoethyl)-1-methylbenzene
CID 105467203
2-(3-chloro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83703366
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
CID 107559750
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
2-chloro-4-[difluoro(isocyanato)methyl]-1-methylbenzene
CID 105471846
2-methyl-5-(2-sulfopropan-2-yl)benzenesulfonic acid
CID 91373266
4-tert-butyl-2-chlorobenzenesulfonyl chloride
CID 22148827
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
lithium (3-chloro-4-methylphenyl)azanide
CID 101026876
calcium;3-chloro-4-methylbenzenesulfonic acid;hydride
CID 173480184
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene?
The IUPAC name of 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene (CID 139625306) is 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene?
The canonical SMILES for 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene is Cc1ccc(C(C)(C)S(=O)(=O)C(C)(C)c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene?
The InChIKey is CQZDMZYYPYRVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2O2S/c1-13-7-9-15(11-17(13)21)19(3,4)25(23,24)20(5,6)16-10-8-14(2)18(22)12-16/h7-12H,1-6H3.
What are the key properties of 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene?
2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene has a molecular weight of 399.38 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene is sourced from PubChem (CID 139625306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).