5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide

C16H22N2O2S — CID 659824

IUPAC5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2O2S/c1-5-18(6-2)21(19,20)16-12-8-9-13-14(16)10-7-11-15(13)17(3)4/h7-12H,5-6H2,1-4H3
InChIKeyCUZUMLPKUCJULM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.94
Rot. Bonds5

About 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide

5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide (PubChem CID 659824) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide
PubChem CID659824
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H22N2O2S/c1-5-18(6-2)21(19,20)16-12-8-9-13-14(16)10-7-11-15(13)17(3)4/h7-12H,5-6H2,1-4H3
InChIKeyCUZUMLPKUCJULM-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide (CID 659824) is 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide is CCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide?
The InChIKey is CUZUMLPKUCJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-18(6-2)21(19,20)16-12-8-9-13-14(16)10-7-11-15(13)17(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 659824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).