7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene

C15H13FO3S — CID 141171039

IUPAC7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C15H13FO3S/c16-12-4-1-5-13(9-12)20(17,18)14-7-6-11-3-2-8-19-15(11)10-14/h1,4-7,9-10H,2-3,8H2
InChIKeyLCLWJGIEFUQTPC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.98
Rot. Bonds2

About 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene

7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene (PubChem CID 141171039) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene
PubChem CID141171039
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Name7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C15H13FO3S/c16-12-4-1-5-13(9-12)20(17,18)14-7-6-11-3-2-8-19-15(11)10-14/h1,4-7,9-10H,2-3,8H2
InChIKeyLCLWJGIEFUQTPC-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene (CID 141171039) is 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2.
What is the InChIKey of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene?
The InChIKey is LCLWJGIEFUQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S/c16-12-4-1-5-13(9-12)20(17,18)14-7-6-11-3-2-8-19-15(11)10-14/h1,4-7,9-10H,2-3,8H2.
What are the key properties of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene?
7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene has a molecular weight of 292.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 141171039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).