N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide

C15H18N4O2S — CID 113038129

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC3CC3)nn2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-3-4-11(2)13(9-10)22(20,21)19-15-8-7-14(17-18-15)16-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHVIUABBGBOVHU-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.47
Rot. Bonds5

About N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide

N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113038129) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID113038129
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(NC3CC3)nn2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-3-4-11(2)13(9-10)22(20,21)19-15-8-7-14(17-18-15)16-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHVIUABBGBOVHU-UHFFFAOYSA-N
XLogP2.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
CID 113038116
N-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113044977
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113050274
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
5-[6-(cyclohexylamino)pyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 27262288
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide (CID 113038129) is N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(NC3CC3)nn2)c1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is GHVIUABBGBOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-3-4-11(2)13(9-10)22(20,21)19-15-8-7-14(17-18-15)16-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).