N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide

C16H22N4O2S — CID 4825866

IUPACN,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCc2ccccn2)nc1
InChIInChI=1S/C16H22N4O2S/c1-3-20(4-2)23(21,22)15-8-9-16(19-13-15)18-12-10-14-7-5-6-11-17-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19)
InChIKeyVKVHRFIOMCSXQG-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.16
Rot. Bonds8

About N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide

N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide (PubChem CID 4825866) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
PubChem CID4825866
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCc2ccccn2)nc1
InChIInChI=1S/C16H22N4O2S/c1-3-20(4-2)23(21,22)15-8-9-16(19-13-15)18-12-10-14-7-5-6-11-17-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19)
InChIKeyVKVHRFIOMCSXQG-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide (CID 4825866) is N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCCc2ccccn2)nc1.
What is the InChIKey of N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide?
The InChIKey is VKVHRFIOMCSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-20(4-2)23(21,22)15-8-9-16(19-13-15)18-12-10-14-7-5-6-11-17-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19).
What are the key properties of N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide?
N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 4825866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).