1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide

C19H17ClN4O4S — CID 38323508

IUPAC1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-12-10-17(25)18(22-24(12)16-8-6-13(20)7-9-16)19(26)21-14-4-3-5-15(11-14)23-29(2,27)28/h3-11,23H,1-2H3,(H,21,26)
InChIKeyPWCPQCWVHAHMDU-UHFFFAOYSA-N
MW432.89 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 38323508) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID38323508
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-12-10-17(25)18(22-24(12)16-8-6-13(20)7-9-16)19(26)21-14-4-3-5-15(11-14)23-29(2,27)28/h3-11,23H,1-2H3,(H,21,26)
InChIKeyPWCPQCWVHAHMDU-UHFFFAOYSA-N
XLogP2.82
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
1-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27674757
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46458084
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
1-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8530886
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
CID 34161619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 38323508) is 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is PWCPQCWVHAHMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-12-10-17(25)18(22-24(12)16-8-6-13(20)7-9-16)19(26)21-14-4-3-5-15(11-14)23-29(2,27)28/h3-11,23H,1-2H3,(H,21,26).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 38323508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).