1,5-bis(ethylsulfonyl)naphthalene

C14H16O4S2 — CID 3619159

IUPAC1,5-bis(ethylsulfonyl)naphthalene
SMILESCCS(=O)(=O)c1cccc2c(S(=O)(=O)CC)cccc12
InChIInChI=1S/C14H16O4S2/c1-3-19(15,16)13-9-5-8-12-11(13)7-6-10-14(12)20(17,18)4-2/h5-10H,3-4H2,1-2H3
InChIKeyWFFXOYDQNPLCJA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.43
Rot. Bonds4

About 1,5-bis(ethylsulfonyl)naphthalene

1,5-bis(ethylsulfonyl)naphthalene (PubChem CID 3619159) has the molecular formula C14H16O4S2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,5-bis(ethylsulfonyl)naphthalene.

Molecular Properties

Compound Name1,5-bis(ethylsulfonyl)naphthalene
PubChem CID3619159
Molecular FormulaC14H16O4S2
Molecular Weight312.41 g/mol
Exact Mass312.05
IUPAC Name1,5-bis(ethylsulfonyl)naphthalene
SMILESCCS(=O)(=O)c1cccc2c(S(=O)(=O)CC)cccc12
InChIInChI=1S/C14H16O4S2/c1-3-19(15,16)13-9-5-8-12-11(13)7-6-10-14(12)20(17,18)4-2/h5-10H,3-4H2,1-2H3
InChIKeyWFFXOYDQNPLCJA-UHFFFAOYSA-N
XLogP2.43
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-bis(ethylsulfonyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethylsulfonyl)naphthalene?
The IUPAC name of 1,5-bis(ethylsulfonyl)naphthalene (CID 3619159) is 1,5-bis(ethylsulfonyl)naphthalene.
What is the SMILES notation for 1,5-bis(ethylsulfonyl)naphthalene?
The canonical SMILES for 1,5-bis(ethylsulfonyl)naphthalene is CCS(=O)(=O)c1cccc2c(S(=O)(=O)CC)cccc12.
What is the InChIKey of 1,5-bis(ethylsulfonyl)naphthalene?
The InChIKey is WFFXOYDQNPLCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S2/c1-3-19(15,16)13-9-5-8-12-11(13)7-6-10-14(12)20(17,18)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,5-bis(ethylsulfonyl)naphthalene?
1,5-bis(ethylsulfonyl)naphthalene has a molecular weight of 312.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethylsulfonyl)naphthalene is sourced from PubChem (CID 3619159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).