N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide

C16H21NO3S — CID 3685153

IUPACN-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CCOC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-11-17(12-13-20-2)21(18,19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3
InChIKeyPQKGDLYAVSBUHG-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.89
Rot. Bonds7

About N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide

N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide (PubChem CID 3685153) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide
PubChem CID3685153
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CCOC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-11-17(12-13-20-2)21(18,19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3
InChIKeyPQKGDLYAVSBUHG-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide (CID 3685153) is N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide is CCCN(CCOC)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide?
The InChIKey is PQKGDLYAVSBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-11-17(12-13-20-2)21(18,19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,3,11-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide?
N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propylnaphthalene-1-sulfonamide is sourced from PubChem (CID 3685153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).