1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide

C11H9Cl2N3O2S — CID 99842457

IUPAC1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccnn1
InChIInChI=1S/C11H9Cl2N3O2S/c12-9-3-1-4-10(13)8(9)7-19(17,18)16-11-5-2-6-14-15-11/h1-6H,7H2,(H,15,16)
InChIKeySWEFSNVWLPYRDP-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide

1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide (PubChem CID 99842457) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide
PubChem CID99842457
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccnn1
InChIInChI=1S/C11H9Cl2N3O2S/c12-9-3-1-4-10(13)8(9)7-19(17,18)16-11-5-2-6-14-15-11/h1-6H,7H2,(H,15,16)
InChIKeySWEFSNVWLPYRDP-UHFFFAOYSA-N
XLogP2.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide (CID 99842457) is 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide is O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccnn1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide?
The InChIKey is SWEFSNVWLPYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-9-3-1-4-10(13)8(9)7-19(17,18)16-11-5-2-6-14-15-11/h1-6H,7H2,(H,15,16).
What are the key properties of 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide?
1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-pyridazin-3-ylmethanesulfonamide is sourced from PubChem (CID 99842457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).