8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile

C15H14N2O3S — CID 704290

IUPAC8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(S(=O)(=O)N3CCOCC3)c12
InChIInChI=1S/C15H14N2O3S/c16-11-13-5-1-3-12-4-2-6-14(15(12)13)21(18,19)17-7-9-20-10-8-17/h1-6H,7-10H2
InChIKeyMSYBGHBSMVXWDB-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds2

About 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile

8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile (PubChem CID 704290) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile
PubChem CID704290
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(S(=O)(=O)N3CCOCC3)c12
InChIInChI=1S/C15H14N2O3S/c16-11-13-5-1-3-12-4-2-6-14(15(12)13)21(18,19)17-7-9-20-10-8-17/h1-6H,7-10H2
InChIKeyMSYBGHBSMVXWDB-UHFFFAOYSA-N
XLogP1.73
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile?
The IUPAC name of 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile (CID 704290) is 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile.
What is the SMILES notation for 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile?
The canonical SMILES for 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile is N#Cc1cccc2cccc(S(=O)(=O)N3CCOCC3)c12.
What is the InChIKey of 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile?
The InChIKey is MSYBGHBSMVXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-11-13-5-1-3-12-4-2-6-14(15(12)13)21(18,19)17-7-9-20-10-8-17/h1-6H,7-10H2.
What are the key properties of 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile?
8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile has a molecular weight of 302.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-ylsulfonylnaphthalene-1-carbonitrile is sourced from PubChem (CID 704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).