N-(4-aminobutyl)naphthalene-2-sulfonamide

C14H18N2O2S — CID 4298

IUPACN-(4-aminobutyl)naphthalene-2-sulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H18N2O2S/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,16H,3-4,9-10,15H2
InChIKeyBUGAJERDTXSWQA-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.86
Rot. Bonds6

About N-(4-aminobutyl)naphthalene-2-sulfonamide

N-(4-aminobutyl)naphthalene-2-sulfonamide (PubChem CID 4298) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-aminobutyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)naphthalene-2-sulfonamide
PubChem CID4298
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4-aminobutyl)naphthalene-2-sulfonamide
SMILESNCCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H18N2O2S/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,16H,3-4,9-10,15H2
InChIKeyBUGAJERDTXSWQA-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)naphthalene-2-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-(4-aminobutyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4-aminobutyl)naphthalene-2-sulfonamide (CID 4298) is N-(4-aminobutyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)naphthalene-2-sulfonamide is NCCCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-aminobutyl)naphthalene-2-sulfonamide?
The InChIKey is BUGAJERDTXSWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,16H,3-4,9-10,15H2.
What are the key properties of N-(4-aminobutyl)naphthalene-2-sulfonamide?
N-(4-aminobutyl)naphthalene-2-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 4298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).