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

C14H19ClO3S — CID 75431964

IUPAC3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
SMILESCC1OCCC1S(=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
InChIKeyNJCOXEVCUZJIJC-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.86
Rot. Bonds5

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

3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane (PubChem CID 75431964) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
PubChem CID75431964
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
SMILESCC1OCCC1S(=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
InChIKeyNJCOXEVCUZJIJC-UHFFFAOYSA-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

(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 97326442
3-(3-chloropropylsulfonyl)-2-methyloxolane
CID 107746967
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
3-(4-chlorophenyl)propane-1-sulfonate
CID 23047341
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335523
3-(3-azidopropylsulfonyl)-2-methyloxolane
CID 107754204
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
CID 107756899
2-[4-[(2-methyloxolan-3-yl)sulfonylmethyl]phenyl]acetic acid
CID 107746538
3-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 23081194
4-fluoro-3-[(2-methyloxolan-3-yl)sulfonylmethyl]benzonitrile
CID 107766631

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The IUPAC name of 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane (CID 75431964) is 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane.
What is the SMILES notation for 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The canonical SMILES for 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane is CC1OCCC1S(=O)(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
The InChIKey is NJCOXEVCUZJIJC-UHFFFAOYSA-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.
What are the key properties of 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane?
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 3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane is sourced from PubChem (CID 75431964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).