N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide

C9H14N2O3S — CID 829843

IUPACN,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O3S/c1-3-11(4-2)15(13,14)8-5-6-9(12)10-7-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyKILRHWPRWSJWKO-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.41
Rot. Bonds4

About N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide

N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 829843) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID829843
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H14N2O3S/c1-3-11(4-2)15(13,14)8-5-6-9(12)10-7-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyKILRHWPRWSJWKO-UHFFFAOYSA-N
XLogP0.41
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide (CID 829843) is N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is KILRHWPRWSJWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-11(4-2)15(13,14)8-5-6-9(12)10-7-8/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide?
N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 829843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).