N-butyl-N-phenylnaphthalene-1-sulfonamide

C20H21NO2S — CID 3864150

IUPACN-butyl-N-phenylnaphthalene-1-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO2S/c1-2-3-16-21(18-12-5-4-6-13-18)24(22,23)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3
InChIKeyNHVZAKJUVOUBEJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.84
Rot. Bonds6

About N-butyl-N-phenylnaphthalene-1-sulfonamide

N-butyl-N-phenylnaphthalene-1-sulfonamide (PubChem CID 3864150) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-butyl-N-phenylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-phenylnaphthalene-1-sulfonamide
PubChem CID3864150
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-butyl-N-phenylnaphthalene-1-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO2S/c1-2-3-16-21(18-12-5-4-6-13-18)24(22,23)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3
InChIKeyNHVZAKJUVOUBEJ-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-phenylnaphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylnaphthalene-1-sulfonamide?
The IUPAC name of N-butyl-N-phenylnaphthalene-1-sulfonamide (CID 3864150) is N-butyl-N-phenylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-butyl-N-phenylnaphthalene-1-sulfonamide?
The canonical SMILES for N-butyl-N-phenylnaphthalene-1-sulfonamide is CCCCN(c1ccccc1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-butyl-N-phenylnaphthalene-1-sulfonamide?
The InChIKey is NHVZAKJUVOUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-2-3-16-21(18-12-5-4-6-13-18)24(22,23)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3.
What are the key properties of N-butyl-N-phenylnaphthalene-1-sulfonamide?
N-butyl-N-phenylnaphthalene-1-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylnaphthalene-1-sulfonamide is sourced from PubChem (CID 3864150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).