N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide

C15H26N2O2S — CID 4212475

IUPACN-(4-methyl-2-pyridinyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-9-12-20(18,19)17-15-13-14(2)10-11-16-15/h10-11,13H,3-9,12H2,1-2H3,(H,16,17)
InChIKeyMLVWJOFMWDPFCX-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.88
Rot. Bonds10

About N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide

N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide (PubChem CID 4212475) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)nonane-1-sulfonamide
PubChem CID4212475
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(4-methyl-2-pyridinyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-9-12-20(18,19)17-15-13-14(2)10-11-16-15/h10-11,13H,3-9,12H2,1-2H3,(H,16,17)
InChIKeyMLVWJOFMWDPFCX-UHFFFAOYSA-N
XLogP3.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-pyridinyl)nonane-1-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-(4-methyl-2-pyridinyl)nonane-1-sulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide (CID 4212475) is N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide is CCCCCCCCCS(=O)(=O)Nc1cc(C)ccn1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide?
The InChIKey is MLVWJOFMWDPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-4-5-6-7-8-9-12-20(18,19)17-15-13-14(2)10-11-16-15/h10-11,13H,3-9,12H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide?
N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)nonane-1-sulfonamide is sourced from PubChem (CID 4212475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).