2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol

C15H23ClO4S — CID 106734814

IUPAC2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol
SMILESCC(C)(C)S(=O)(=O)CCC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C15H23ClO4S/c1-14(2,3)21(19,20)9-8-15(10-17,11-18)12-6-4-5-7-13(12)16/h4-7,17-18H,8-11H2,1-3H3
InChIKeyUKVUZWUDYQIJBU-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.17
Rot. Bonds6

About 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol

2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol (PubChem CID 106734814) has the molecular formula C15H23ClO4S and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol
PubChem CID106734814
Molecular FormulaC15H23ClO4S
Molecular Weight334.87 g/mol
Exact Mass334.10
IUPAC Name2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol
SMILESCC(C)(C)S(=O)(=O)CCC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C15H23ClO4S/c1-14(2,3)21(19,20)9-8-15(10-17,11-18)12-6-4-5-7-13(12)16/h4-7,17-18H,8-11H2,1-3H3
InChIKeyUKVUZWUDYQIJBU-UHFFFAOYSA-N
XLogP2.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol 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-[2-(2-Chlorophenyl)ethylsulfonyl]ethanol
CID 71972662
2-(2-Chlorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 135063972
1-(2-Chloro-4-fluorophenyl)-5-methylsulfonylpentan-2-ol
CID 55161386
1-(2-Chloro-6-fluorophenyl)-3-methylsulfonylpropan-2-ol
CID 62472725
1-(2-Chloro-6-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 63023168
1-(2-Chloro-4-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 63033517
1-(2-Chloro-6-fluorophenyl)-5-methylsulfonylpentan-2-ol
CID 63191936
1-(2-Chloro-6-fluorophenyl)-3-methyl-3-methylsulfonylbutan-2-ol
CID 64010633
2-(2-Chloro-6-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 64907098
1-(2-Chloro-4-fluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095891
1-(2-Chloro-6-fluorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095941
1-(2-Chloro-4-fluorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095942

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol (CID 106734814) is 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol is CC(C)(C)S(=O)(=O)CCC(CO)(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol?
The InChIKey is UKVUZWUDYQIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO4S/c1-14(2,3)21(19,20)9-8-15(10-17,11-18)12-6-4-5-7-13(12)16/h4-7,17-18H,8-11H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol?
2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol has a molecular weight of 334.87 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-2-(2-chlorophenyl)propane-1,3-diol is sourced from PubChem (CID 106734814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).