1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide

C19H20N2O2S — CID 21210240

IUPAC1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide
SMILESCCc1cccc2ccc(S(=O)(=O)Nc3ccccn3)c(CC)c12
InChIInChI=1S/C19H20N2O2S/c1-3-14-8-7-9-15-11-12-17(16(4-2)19(14)15)24(22,23)21-18-10-5-6-13-20-18/h5-13H,3-4H2,1-2H3,(H,20,21)
InChIKeyOZDFMVSBLADWTQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.16
Rot. Bonds5

About 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide

1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide (PubChem CID 21210240) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide
PubChem CID21210240
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide
SMILESCCc1cccc2ccc(S(=O)(=O)Nc3ccccn3)c(CC)c12
InChIInChI=1S/C19H20N2O2S/c1-3-14-8-7-9-15-11-12-17(16(4-2)19(14)15)24(22,23)21-18-10-5-6-13-20-18/h5-13H,3-4H2,1-2H3,(H,20,21)
InChIKeyOZDFMVSBLADWTQ-UHFFFAOYSA-N
XLogP4.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide?
The IUPAC name of 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide (CID 21210240) is 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide?
The canonical SMILES for 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide is CCc1cccc2ccc(S(=O)(=O)Nc3ccccn3)c(CC)c12.
What is the InChIKey of 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide?
The InChIKey is OZDFMVSBLADWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-14-8-7-9-15-11-12-17(16(4-2)19(14)15)24(22,23)21-18-10-5-6-13-20-18/h5-13H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide?
1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diethyl-N-pyridin-2-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 21210240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).