2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile

C11H11FN2O3S — CID 5207525

IUPAC2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c12-11-2-1-10(7-9(11)8-13)18(15,16)14-3-5-17-6-4-14/h1-2,7H,3-6H2
InChIKeySWHQHJPIWNZWIH-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.72
Rot. Bonds2

About 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile

2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile (PubChem CID 5207525) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile
PubChem CID5207525
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c12-11-2-1-10(7-9(11)8-13)18(15,16)14-3-5-17-6-4-14/h1-2,7H,3-6H2
InChIKeySWHQHJPIWNZWIH-UHFFFAOYSA-N
XLogP0.72
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile (CID 5207525) is 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile is N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile?
The InChIKey is SWHQHJPIWNZWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c12-11-2-1-10(7-9(11)8-13)18(15,16)14-3-5-17-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile?
2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile has a molecular weight of 270.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonylbenzonitrile is sourced from PubChem (CID 5207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).