5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H12ClN3O4S — CID 64606352

IUPAC5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H12ClN3O4S/c1-2-16-7-8(3-4-11(16)17)15-21(19,20)9-5-10(13)12(18)14-6-9/h3-7,15H,2H2,1H3,(H,14,18)
InChIKeyDTZLOEQJVWRNRB-UHFFFAOYSA-N
MW329.77 g/mol
LogP1.01
Rot. Bonds4

About 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606352) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606352
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H12ClN3O4S/c1-2-16-7-8(3-4-11(16)17)15-21(19,20)9-5-10(13)12(18)14-6-9/h3-7,15H,2H2,1H3,(H,14,18)
InChIKeyDTZLOEQJVWRNRB-UHFFFAOYSA-N
XLogP1.01
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103710399
5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607130
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61216187
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 61041715
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607902
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606352) is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide is CCn1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)ccc1=O.
What is the InChIKey of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DTZLOEQJVWRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-2-16-7-8(3-4-11(16)17)15-21(19,20)9-5-10(13)12(18)14-6-9/h3-7,15H,2H2,1H3,(H,14,18).
What are the key properties of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 329.77 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).