3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol

C15H14ClFO4S — CID 19901319

IUPAC3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol
SMILESO=S(=O)(CC(O)(CO)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C15H14ClFO4S/c16-13-6-1-2-7-14(13)22(20,21)10-15(19,9-18)11-4-3-5-12(17)8-11/h1-8,18-19H,9-10H2
InChIKeyVABSPACYLICMSU-UHFFFAOYSA-N
MW344.79 g/mol
LogP2.13
Rot. Bonds5

About 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol

3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol (PubChem CID 19901319) has the molecular formula C15H14ClFO4S and a molecular weight of 344.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol
PubChem CID19901319
Molecular FormulaC15H14ClFO4S
Molecular Weight344.79 g/mol
Exact Mass344.03
IUPAC Name3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol
SMILESO=S(=O)(CC(O)(CO)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C15H14ClFO4S/c16-13-6-1-2-7-14(13)22(20,21)10-15(19,9-18)11-4-3-5-12(17)8-11/h1-8,18-19H,9-10H2
InChIKeyVABSPACYLICMSU-UHFFFAOYSA-N
XLogP2.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol (CID 19901319) is 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol is O=S(=O)(CC(O)(CO)c1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol?
The InChIKey is VABSPACYLICMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO4S/c16-13-6-1-2-7-14(13)22(20,21)10-15(19,9-18)11-4-3-5-12(17)8-11/h1-8,18-19H,9-10H2.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol?
3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol has a molecular weight of 344.79 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-2-(3-fluorophenyl)propane-1,2-diol is sourced from PubChem (CID 19901319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).