N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide

C15H18N2O3S — CID 60958995

IUPACN-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CCc1ccccc1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N2O3S/c1-2-17(11-10-13-6-4-3-5-7-13)21(19,20)14-8-9-15(18)16-12-14/h3-9,12H,2,10-11H2,1H3,(H,16,18)
InChIKeyASPMFRYSDGVSPG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide

N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide (PubChem CID 60958995) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide
PubChem CID60958995
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide
SMILESCCN(CCc1ccccc1)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N2O3S/c1-2-17(11-10-13-6-4-3-5-7-13)21(19,20)14-8-9-15(18)16-12-14/h3-9,12H,2,10-11H2,1H3,(H,16,18)
InChIKeyASPMFRYSDGVSPG-UHFFFAOYSA-N
XLogP1.63
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide (CID 60958995) is N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide is CCN(CCc1ccccc1)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide?
The InChIKey is ASPMFRYSDGVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-17(11-10-13-6-4-3-5-7-13)21(19,20)14-8-9-15(18)16-12-14/h3-9,12H,2,10-11H2,1H3,(H,16,18).
What are the key properties of N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide?
N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60958995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).