(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane

C14H19ClO3S — CID 97326442

IUPAC(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@@H]1S(=O)(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3S/c1-11-14(8-9-18-11)19(16,17)10-2-3-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t11-,14-/m0/s1
InChIKeyNJCOXEVCUZJIJC-FZMZJTMJSA-N
MW302.82 g/mol
LogP2.86
Rot. Bonds5

About (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane

(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane (PubChem CID 97326442) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane.

Molecular Properties

Compound Name(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
PubChem CID97326442
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
SMILESC[C@@H]1OCC[C@@H]1S(=O)(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3S/c1-11-14(8-9-18-11)19(16,17)10-2-3-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t11-,14-/m0/s1
InChIKeyNJCOXEVCUZJIJC-FZMZJTMJSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Chlorobenzyl)sulfonyl]cyclohexan-1-ol
CID 2725943
1-Chloro-4-[3-(2-methylsulfonylethylsulfinyl)propyl]benzene
CID 75382391
1-Chloro-4-(3-(methylsulfonyl)prop-1-en-2-yl)benzene
CID 10105279
1-(4-Chloro-2-fluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105132947
1-(4-Chloro-3-fluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 107894409
3-[(2-Chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
CID 122160026
(2R,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
CID 124571535
(2S,3R)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
CID 124571536
(2R,3S)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
CID 124571537
(2S,3S)-3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methyloxolane
CID 124571538
2-[(2-Chloro-4-fluorophenyl)methylsulfonylmethyl]oxolane
CID 133833239
2-[(2-Chloro-6-fluorophenyl)methylsulfonylmethyl]oxolane
CID 133833607

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The IUPAC name of (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane (CID 97326442) is (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane.
What is the SMILES notation for (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The canonical SMILES for (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane is C[C@@H]1OCC[C@@H]1S(=O)(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The InChIKey is NJCOXEVCUZJIJC-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19ClO3S/c1-11-14(8-9-18-11)19(16,17)10-2-3-12-4-6-13(15)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane has a molecular weight of 302.82 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane is sourced from PubChem (CID 97326442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).