N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide

C15H16Cl2N2O2S — CID 3889481

IUPACN-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(Cl)nc1Cl
InChIInChI=1S/C15H16Cl2N2O2S/c1-3-19(10-12-7-5-4-6-8-12)22(20,21)14-11(2)9-13(16)18-15(14)17/h4-9H,3,10H2,1-2H3
InChIKeyJOSSTCQPENKFBW-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.91
Rot. Bonds5

About N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide

N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide (PubChem CID 3889481) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide
PubChem CID3889481
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC NameN-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(Cl)nc1Cl
InChIInChI=1S/C15H16Cl2N2O2S/c1-3-19(10-12-7-5-4-6-8-12)22(20,21)14-11(2)9-13(16)18-15(14)17/h4-9H,3,10H2,1-2H3
InChIKeyJOSSTCQPENKFBW-UHFFFAOYSA-N
XLogP3.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-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 N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide?
The IUPAC name of N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide (CID 3889481) is N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(Cl)nc1Cl.
What is the InChIKey of N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide?
The InChIKey is JOSSTCQPENKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-3-19(10-12-7-5-4-6-8-12)22(20,21)14-11(2)9-13(16)18-15(14)17/h4-9H,3,10H2,1-2H3.
What are the key properties of N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide?
N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide has a molecular weight of 359.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dichloro-N-ethyl-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 3889481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).