2-naphthalen-2-ylsulfonylpropanedinitrile

C13H8N2O2S — CID 20715344

IUPAC2-naphthalen-2-ylsulfonylpropanedinitrile
SMILESN#CC(C#N)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H8N2O2S/c14-8-13(9-15)18(16,17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H
InChIKeyFGEQRMXBDWGMLN-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.03
Rot. Bonds2

About 2-naphthalen-2-ylsulfonylpropanedinitrile

2-naphthalen-2-ylsulfonylpropanedinitrile (PubChem CID 20715344) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonylpropanedinitrile.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonylpropanedinitrile
PubChem CID20715344
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name2-naphthalen-2-ylsulfonylpropanedinitrile
SMILESN#CC(C#N)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H8N2O2S/c14-8-13(9-15)18(16,17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H
InChIKeyFGEQRMXBDWGMLN-UHFFFAOYSA-N
XLogP2.03
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)propanedinitrile;propanedinitrile
CID 91131130
naphthalene-2-sulfonic acid
CID 8420
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile
CID 8743070
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
propan-2-yl naphthalene-2-sulfonate
CID 54505211
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
tetracene-2-sulfonic acid
CID 21483873
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonylpropanedinitrile?
The IUPAC name of 2-naphthalen-2-ylsulfonylpropanedinitrile (CID 20715344) is 2-naphthalen-2-ylsulfonylpropanedinitrile.
What is the SMILES notation for 2-naphthalen-2-ylsulfonylpropanedinitrile?
The canonical SMILES for 2-naphthalen-2-ylsulfonylpropanedinitrile is N#CC(C#N)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfonylpropanedinitrile?
The InChIKey is FGEQRMXBDWGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c14-8-13(9-15)18(16,17)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13H.
What are the key properties of 2-naphthalen-2-ylsulfonylpropanedinitrile?
2-naphthalen-2-ylsulfonylpropanedinitrile has a molecular weight of 256.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonylpropanedinitrile is sourced from PubChem (CID 20715344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).