N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide

C12H13ClN4O2S — CID 113047692

IUPACN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccc(Cl)cc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H13ClN4O2S/c1-8-3-4-9(13)7-10(8)14-11-5-6-12(16-15-11)17-20(2,18)19/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZZVMLKXDWHXSQB-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.55
Rot. Bonds4

About N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113047692) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113047692
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCc1ccc(Cl)cc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H13ClN4O2S/c1-8-3-4-9(13)7-10(8)14-11-5-6-12(16-15-11)17-20(2,18)19/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZZVMLKXDWHXSQB-UHFFFAOYSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047657
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
CID 113051513
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide (CID 113047692) is N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide is Cc1ccc(Cl)cc1Nc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is ZZVMLKXDWHXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-8-3-4-9(13)7-10(8)14-11-5-6-12(16-15-11)17-20(2,18)19/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113047692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).