N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide

C13H12ClN3O4S — CID 56806878

IUPACN-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H12ClN3O4S/c1-2-17-12(18)8-7-11(15-17)13(19)16-22(20,21)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,16,19)
InChIKeyJGANNFVKLGZBMR-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.04
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide

N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 56806878) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID56806878
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC NameN-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H12ClN3O4S/c1-2-17-12(18)8-7-11(15-17)13(19)16-22(20,21)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,16,19)
InChIKeyJGANNFVKLGZBMR-UHFFFAOYSA-N
XLogP1.04
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 139521601
(3S)-3-(2-chlorophenyl)-3-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 95770938
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 121066878
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide (CID 56806878) is N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is JGANNFVKLGZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-2-17-12(18)8-7-11(15-17)13(19)16-22(20,21)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide?
N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 341.78 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 56806878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).