4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide

C19H20N2O2S — CID 4718107

IUPAC4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
InChIKeyVXZRQQMOCBAJCN-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.82
Rot. Bonds6

About 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide

4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide (PubChem CID 4718107) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
PubChem CID4718107
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
InChIKeyVXZRQQMOCBAJCN-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.82
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 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide (CID 4718107) is 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
The InChIKey is VXZRQQMOCBAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23).
What are the key properties of 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide?
4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(naphthalen-1-ylmethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4718107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).