N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide

C19H20N4O2S — CID 2594667

IUPACN-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C19H20N4O2S/c1-2-23(17-8-4-3-5-9-17)26(24,25)18-10-11-19(22-15-18)21-14-16-7-6-12-20-13-16/h3-13,15H,2,14H2,1H3,(H,21,22)
InChIKeySFQQZRJWJRWCSE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.30
Rot. Bonds7

About N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide

N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 2594667) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide
PubChem CID2594667
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccnc2)nc1
InChIInChI=1S/C19H20N4O2S/c1-2-23(17-8-4-3-5-9-17)26(24,25)18-10-11-19(22-15-18)21-14-16-7-6-12-20-13-16/h3-13,15H,2,14H2,1H3,(H,21,22)
InChIKeySFQQZRJWJRWCSE-UHFFFAOYSA-N
XLogP3.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide (CID 2594667) is N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cccnc2)nc1.
What is the InChIKey of N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is SFQQZRJWJRWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-23(17-8-4-3-5-9-17)26(24,25)18-10-11-19(22-15-18)21-14-16-7-6-12-20-13-16/h3-13,15H,2,14H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide?
N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-(pyridin-3-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 2594667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).