N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide

C15H19ClN2O2S — CID 4305

IUPACN-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide
SMILESNCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C15H19ClN2O2S/c16-15-6-4-5-12-11-13(7-8-14(12)15)21(19,20)18-10-3-1-2-9-17/h4-8,11,18H,1-3,9-10,17H2
InChIKeyWPSFHFSJASWWAY-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.90
Rot. Bonds7

About N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide

N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide (PubChem CID 4305) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide
PubChem CID4305
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide
SMILESNCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C15H19ClN2O2S/c16-15-6-4-5-12-11-13(7-8-14(12)15)21(19,20)18-10-3-1-2-9-17/h4-8,11,18H,1-3,9-10,17H2
InChIKeyWPSFHFSJASWWAY-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.90
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-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide (CID 4305) is N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide is NCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide?
The InChIKey is WPSFHFSJASWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-15-6-4-5-12-11-13(7-8-14(12)15)21(19,20)18-10-3-1-2-9-17/h4-8,11,18H,1-3,9-10,17H2.
What are the key properties of N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide?
N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide has a molecular weight of 326.85 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 4305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).