N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide

C11H9Cl2N3O3S — CID 86580562

IUPACN-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
SMILESO=c1cc(Cl)[nH]nc1NS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O3S/c12-8-3-1-2-7(4-8)6-20(18,19)16-11-9(17)5-10(13)14-15-11/h1-5H,6H2,(H,14,17)(H,15,16)
InChIKeyNAIURGMPMYMMCG-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.02
Rot. Bonds4

About N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide

N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide (PubChem CID 86580562) has the molecular formula C11H9Cl2N3O3S and a molecular weight of 334.18 g/mol. Its IUPAC name is N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
PubChem CID86580562
Molecular FormulaC11H9Cl2N3O3S
Molecular Weight334.18 g/mol
Exact Mass332.97
IUPAC NameN-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
SMILESO=c1cc(Cl)[nH]nc1NS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O3S/c12-8-3-1-2-7(4-8)6-20(18,19)16-11-9(17)5-10(13)14-15-11/h1-5H,6H2,(H,14,17)(H,15,16)
InChIKeyNAIURGMPMYMMCG-UHFFFAOYSA-N
XLogP2.02
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide (CID 86580562) is N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide is O=c1cc(Cl)[nH]nc1NS(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide?
The InChIKey is NAIURGMPMYMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3S/c12-8-3-1-2-7(4-8)6-20(18,19)16-11-9(17)5-10(13)14-15-11/h1-5H,6H2,(H,14,17)(H,15,16).
What are the key properties of N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide?
N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide has a molecular weight of 334.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 86580562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).