N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide

C13H16N2O2S — CID 67872895

IUPACN-[2-(methylamino)ethyl]naphthalene-1-sulfonamide
SMILESCNCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H16N2O2S/c1-14-9-10-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9-10H2,1H3
InChIKeyCCQLQNIXJJTFTG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide

N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide (PubChem CID 67872895) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]naphthalene-1-sulfonamide
PubChem CID67872895
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[2-(methylamino)ethyl]naphthalene-1-sulfonamide
SMILESCNCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H16N2O2S/c1-14-9-10-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9-10H2,1H3
InChIKeyCCQLQNIXJJTFTG-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide (CID 67872895) is N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide is CNCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide?
The InChIKey is CCQLQNIXJJTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-14-9-10-15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9-10H2,1H3.
What are the key properties of N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide?
N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 67872895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).