3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

C14H18N4O2S — CID 113038018

IUPAC3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c1
InChIInChI=1S/C14H18N4O2S/c1-10(2)15-13-7-8-14(17-16-13)18-21(19,20)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,15,16)(H,17,18)
InChIKeySVSWQHRJXQMPBV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.41
Rot. Bonds5

About 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113038018) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113038018
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c1
InChIInChI=1S/C14H18N4O2S/c1-10(2)15-13-7-8-14(17-16-13)18-21(19,20)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,15,16)(H,17,18)
InChIKeySVSWQHRJXQMPBV-UHFFFAOYSA-N
XLogP2.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide
CID 11639564
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113039383
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-methylbenzenesulfonamide
CID 69069110
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113043046
6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (CID 113038018) is 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c1.
What is the InChIKey of 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is SVSWQHRJXQMPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(2)15-13-7-8-14(17-16-13)18-21(19,20)12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113038018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).