[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate

C16H15Cl3O3S — CID 129384568

IUPAC[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate
SMILESCS(=O)(=O)OC[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3O3S/c1-23(20,21)22-10-12(8-11-4-2-3-5-15(11)18)14-7-6-13(17)9-16(14)19/h2-7,9,12H,8,10H2,1H3/t12-/m0/s1
InChIKeyMBCKUTROGBPHIE-LBPRGKRZSA-N
MW393.72 g/mol
LogP4.95
Rot. Bonds6

About [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate

[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate (PubChem CID 129384568) has the molecular formula C16H15Cl3O3S and a molecular weight of 393.72 g/mol. Its IUPAC name is [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate
PubChem CID129384568
Molecular FormulaC16H15Cl3O3S
Molecular Weight393.72 g/mol
Exact Mass391.98
IUPAC Name[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate
SMILESCS(=O)(=O)OC[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3O3S/c1-23(20,21)22-10-12(8-11-4-2-3-5-15(11)18)14-7-6-13(17)9-16(14)19/h2-7,9,12H,8,10H2,1H3/t12-/m0/s1
InChIKeyMBCKUTROGBPHIE-LBPRGKRZSA-N
XLogP4.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate 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

[(2R)-2-(2,4-dichlorophenyl)-3-(2,6-dichlorophenyl)propyl] methanesulfonate
CID 129384562
[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)propyl] methanesulfonate
CID 21499495
[(2S)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)butyl] methanesulfonate
CID 125466027
[2-[2-(2-chlorophenyl)ethyl]-4-phenylbutyl] methanesulfonate
CID 88753459
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
CID 88843715
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
methyl (2S)-4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butanoate
CID 125465921
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
[(2S)-2-(3-chlorophenyl)propyl] methanesulfonate
CID 129412331
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate?
The IUPAC name of [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate (CID 129384568) is [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate.
What is the SMILES notation for [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate?
The canonical SMILES for [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate is CS(=O)(=O)OC[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate?
The InChIKey is MBCKUTROGBPHIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15Cl3O3S/c1-23(20,21)22-10-12(8-11-4-2-3-5-15(11)18)14-7-6-13(17)9-16(14)19/h2-7,9,12H,8,10H2,1H3/t12-/m0/s1.
What are the key properties of [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate?
[(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate has a molecular weight of 393.72 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2-chlorophenyl)-2-(2,4-dichlorophenyl)propyl] methanesulfonate is sourced from PubChem (CID 129384568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).