3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine

C12H13Cl2N5O2S — CID 113050806

IUPAC3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N5O2S/c1-19(2)22(20,21)18-12-6-5-11(16-17-12)15-10-4-3-8(13)7-9(10)14/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMQBIKJJCUEHQY-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.75
Rot. Bonds5

About 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine

3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine (PubChem CID 113050806) has the molecular formula C12H13Cl2N5O2S and a molecular weight of 362.24 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
PubChem CID113050806
Molecular FormulaC12H13Cl2N5O2S
Molecular Weight362.24 g/mol
Exact Mass361.02
IUPAC Name3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N5O2S/c1-19(2)22(20,21)18-12-6-5-11(16-17-12)15-10-4-3-8(13)7-9(10)14/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZMQBIKJJCUEHQY-UHFFFAOYSA-N
XLogP2.75
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
3-(4-chloro-2-methoxy-5-methylanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113051006
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
CID 4635582
1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
CID 28787801
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
6-(2,5-dichloroanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267654

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine?
The IUPAC name of 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine (CID 113050806) is 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine.
What is the SMILES notation for 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine?
The canonical SMILES for 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine is CN(C)S(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine?
The InChIKey is ZMQBIKJJCUEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O2S/c1-19(2)22(20,21)18-12-6-5-11(16-17-12)15-10-4-3-8(13)7-9(10)14/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine?
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine has a molecular weight of 362.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine is sourced from PubChem (CID 113050806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).