3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide

C20H21N3O3S — CID 11639564

IUPAC3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(OCCCc3ccccc3)nn2)c1
InChIInChI=1S/C20H21N3O3S/c1-16-7-5-11-18(15-16)27(24,25)23-19-12-13-20(22-21-19)26-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,21,23)
InChIKeyYEZIWIYPMQWPIH-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.60
Rot. Bonds8

About 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide

3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide (PubChem CID 11639564) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide
PubChem CID11639564
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(OCCCc3ccccc3)nn2)c1
InChIInChI=1S/C20H21N3O3S/c1-16-7-5-11-18(15-16)27(24,25)23-19-12-13-20(22-21-19)26-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,21,23)
InChIKeyYEZIWIYPMQWPIH-UHFFFAOYSA-N
XLogP3.60
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113039383
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-methylbenzenesulfonamide
CID 69069110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide (CID 11639564) is 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(OCCCc3ccccc3)nn2)c1.
What is the InChIKey of 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is YEZIWIYPMQWPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-16-7-5-11-18(15-16)27(24,25)23-19-12-13-20(22-21-19)26-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,21,23).
What are the key properties of 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide?
3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(3-phenylpropoxy)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 11639564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).