6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide

C11H18ClN3O3S — CID 64600913

IUPAC6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h7-8,15H,2-6H2,1H3,(H2,13,14)
InChIKeySQSJPMVVGKFZOY-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.41
Rot. Bonds8

About 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide

6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide (PubChem CID 64600913) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide
PubChem CID64600913
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h7-8,15H,2-6H2,1H3,(H2,13,14)
InChIKeySQSJPMVVGKFZOY-UHFFFAOYSA-N
XLogP1.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-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 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide (CID 64600913) is 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide is CCCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide?
The InChIKey is SQSJPMVVGKFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h7-8,15H,2-6H2,1H3,(H2,13,14).
What are the key properties of 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide?
6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-butoxyethyl)-5-chloropyridine-3-sulfonamide is sourced from PubChem (CID 64600913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).