3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine

C14H19N5O2S — CID 113041130

IUPAC3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1
InChIInChI=1S/C14H19N5O2S/c1-11-4-6-12(7-5-11)10-15-13-8-9-14(17-16-13)18-22(20,21)19(2)3/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRXTAHAJOKCLDFT-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.62
Rot. Bonds6

About 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine

3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine (PubChem CID 113041130) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
PubChem CID113041130
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1
InChIInChI=1S/C14H19N5O2S/c1-11-4-6-12(7-5-11)10-15-13-8-9-14(17-16-13)18-22(20,21)19(2)3/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRXTAHAJOKCLDFT-UHFFFAOYSA-N
XLogP1.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoylamino)-6-[(4-methoxyphenyl)methylamino]pyridazine
CID 113041805
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
3-[3-(dimethylamino)propylamino]-6-(dimethylsulfamoylamino)pyridazine
CID 113040165
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]methanesulfonamide
CID 113041801
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine (CID 113041130) is 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine is Cc1ccc(CNc2ccc(NS(=O)(=O)N(C)C)nn2)cc1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine?
The InChIKey is RXTAHAJOKCLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-4-6-12(7-5-11)10-15-13-8-9-14(17-16-13)18-22(20,21)19(2)3/h4-9H,10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine?
3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine has a molecular weight of 321.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine is sourced from PubChem (CID 113041130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).