6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide

C16H22N4O2S — CID 133385875

IUPAC6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1
InChIInChI=1S/C16H22N4O2S/c1-17-23(21,22)15-8-9-16(18-11-15)20(4)12-13-6-5-7-14(10-13)19(2)3/h5-11,17H,12H2,1-4H3
InChIKeyQGUFGGIUZQHCCF-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.69
Rot. Bonds6

About 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide

6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133385875) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133385875
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1
InChIInChI=1S/C16H22N4O2S/c1-17-23(21,22)15-8-9-16(18-11-15)20(4)12-13-6-5-7-14(10-13)19(2)3/h5-11,17H,12H2,1-4H3
InChIKeyQGUFGGIUZQHCCF-UHFFFAOYSA-N
XLogP1.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide (CID 133385875) is 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N(C)Cc2cccc(N(C)C)c2)nc1.
What is the InChIKey of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is QGUFGGIUZQHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-17-23(21,22)15-8-9-16(18-11-15)20(4)12-13-6-5-7-14(10-13)19(2)3/h5-11,17H,12H2,1-4H3.
What are the key properties of 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide?
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133385875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).