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

C15H20N4O3S — CID 113038004

IUPAC4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c(C)c1
InChIInChI=1S/C15H20N4O3S/c1-10(2)16-14-7-8-15(18-17-14)19-23(20,21)13-6-5-12(22-4)9-11(13)3/h5-10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXELWDCQRADIOKE-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.41
Rot. Bonds6

About 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113038004) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113038004
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c(C)c1
InChIInChI=1S/C15H20N4O3S/c1-10(2)16-14-7-8-15(18-17-14)19-23(20,21)13-6-5-12(22-4)9-11(13)3/h5-10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXELWDCQRADIOKE-UHFFFAOYSA-N
XLogP2.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
4-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 110724539
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (CID 113038004) is 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is XELWDCQRADIOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10(2)16-14-7-8-15(18-17-14)19-23(20,21)13-6-5-12(22-4)9-11(13)3/h5-10H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113038004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).