N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide

C13H14Cl2N4O2S — CID 113050804

IUPACN-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H14Cl2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-11-4-3-9(14)8-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPNCUCAMGQGYNBO-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113050804) has the molecular formula C13H14Cl2N4O2S and a molecular weight of 361.25 g/mol. Its IUPAC name is N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113050804
Molecular FormulaC13H14Cl2N4O2S
Molecular Weight361.25 g/mol
Exact Mass360.02
IUPAC NameN-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H14Cl2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-11-4-3-9(14)8-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPNCUCAMGQGYNBO-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-[6-(2-ethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113048434
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide (CID 113050804) is N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is PNCUCAMGQGYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2S/c1-2-7-22(20,21)19-13-6-5-12(17-18-13)16-11-4-3-9(14)8-10(11)15/h3-6,8H,2,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 361.25 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 113050804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).