6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide

C16H21N3O2S — CID 829837

IUPAC6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-3-19(4-2)22(20,21)15-10-11-16(18-13-15)17-12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,17,18)
InChIKeyVCXFJACILFTMAK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.72
Rot. Bonds7

About 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide

6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 829837) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide
PubChem CID829837
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C16H21N3O2S/c1-3-19(4-2)22(20,21)15-10-11-16(18-13-15)17-12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,17,18)
InChIKeyVCXFJACILFTMAK-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(benzylamino)-N,N-diethylpyridine-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-(benzylamino)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide (CID 829837) is 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is VCXFJACILFTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-19(4-2)22(20,21)15-10-11-16(18-13-15)17-12-14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,17,18).
What are the key properties of 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide?
6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 829837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).