N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide

C13H23N3O2S — CID 55043089

IUPACN-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-7-11(2)16-19(17,18)12-8-9-15-13(10-12)14-3/h8-11,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyGEYPKXWAESKESE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.37
Rot. Bonds8

About N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide

N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 55043089) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID55043089
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-7-11(2)16-19(17,18)12-8-9-15-13(10-12)14-3/h8-11,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyGEYPKXWAESKESE-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide (CID 55043089) is N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide is CCCCCC(C)NS(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is GEYPKXWAESKESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-6-7-11(2)16-19(17,18)12-8-9-15-13(10-12)14-3/h8-11,16H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide?
N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 55043089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).