5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide

C13H22ClN3O3S — CID 64599942

IUPAC5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCCC(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-10(2)4-6-20-7-5-17-21(18,19)11-8-12(14)13(15-3)16-9-11/h8-10,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyLZEQXWUHTIWATE-UHFFFAOYSA-N
MW335.86 g/mol
LogP2.12
Rot. Bonds9

About 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 64599942) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
PubChem CID64599942
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCCC(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-10(2)4-6-20-7-5-17-21(18,19)11-8-12(14)13(15-3)16-9-11/h8-10,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyLZEQXWUHTIWATE-UHFFFAOYSA-N
XLogP2.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide (CID 64599942) is 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCCOCCC(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is LZEQXWUHTIWATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-10(2)4-6-20-7-5-17-21(18,19)11-8-12(14)13(15-3)16-9-11/h8-10,17H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 335.86 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).