N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide

C16H21ClN2O2S — CID 4306

IUPACN-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C16H21ClN2O2S/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18/h5-9,12,19H,1-4,10-11,18H2
InChIKeyWAEIMOCPASQBSR-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.29
Rot. Bonds8

About N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide

N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide (PubChem CID 4306) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide
PubChem CID4306
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide
SMILESNCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C16H21ClN2O2S/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18/h5-9,12,19H,1-4,10-11,18H2
InChIKeyWAEIMOCPASQBSR-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-5-chloronaphthalene-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-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide (CID 4306) is N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide is NCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide?
The InChIKey is WAEIMOCPASQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18/h5-9,12,19H,1-4,10-11,18H2.
What are the key properties of N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide?
N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide has a molecular weight of 340.88 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 4306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).