5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile

C15H15FN4O3S — CID 128995420

IUPAC5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
SMILESCn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)cn1
InChIInChI=1S/C15H15FN4O3S/c1-19-9-12(8-18-19)14-10-20(4-5-23-14)24(21,22)15-3-2-13(16)6-11(15)7-17/h2-3,6,8-9,14H,4-5,10H2,1H3
InChIKeyDEIWLXSNJAUEFN-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.19
Rot. Bonds3

About 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile

5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile (PubChem CID 128995420) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
PubChem CID128995420
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
SMILESCn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)cn1
InChIInChI=1S/C15H15FN4O3S/c1-19-9-12(8-18-19)14-10-20(4-5-23-14)24(21,22)15-3-2-13(16)6-11(15)7-17/h2-3,6,8-9,14H,4-5,10H2,1H3
InChIKeyDEIWLXSNJAUEFN-UHFFFAOYSA-N
XLogP1.19
TPSA88.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile?
The IUPAC name of 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile (CID 128995420) is 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile.
What is the SMILES notation for 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile?
The canonical SMILES for 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile is Cn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C#N)CCO2)cn1.
What is the InChIKey of 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile?
The InChIKey is DEIWLXSNJAUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-19-9-12(8-18-19)14-10-20(4-5-23-14)24(21,22)15-3-2-13(16)6-11(15)7-17/h2-3,6,8-9,14H,4-5,10H2,1H3.
What are the key properties of 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile?
5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile has a molecular weight of 350.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile is sourced from PubChem (CID 128995420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).