N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

C17H15N3O3S — CID 71805081

IUPACN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C17H15N3O3S/c1-20-17(21)12-11-15(18-20)14-9-5-6-10-16(14)19-24(22,23)13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyVVLGGCIRBHCTDQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide

N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 71805081) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID71805081
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCn1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C17H15N3O3S/c1-20-17(21)12-11-15(18-20)14-9-5-6-10-16(14)19-24(22,23)13-7-3-2-4-8-13/h2-12,19H,1H3
InChIKeyVVLGGCIRBHCTDQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)benzenesulfonamide
CID 16800296
1-[4-(6-Oxo-3-phenylpyridazin-1-yl)phenyl]sulfonyl-3-propylurea
CID 44127686
1-Butyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)phenyl]sulfonylurea
CID 44127896
1-(2,5-difluorophenyl)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 71805085
N-[(E)-1-[4-(benzenesulfonamido)phenyl]ethylideneamino]-2-cyanoacetamide
CID 118731917
3-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]benzenesulfonamide
CID 178296701
US10023592, Example 480
CID 118022305
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 16800294
N-[3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]ethane-1-sulfonamide
CID 16800295
2-methyl-N-(4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-5-nitrobenzenesulfonamide
CID 16804366
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)propane-1-sulfonamide
CID 18588402
6-(2-Aminophenyl)-2-methyl-2,3-dihydropyridazin-3-one
CID 71778755

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide (CID 71805081) is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is Cn1nc(-c2ccccc2NS(=O)(=O)c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is VVLGGCIRBHCTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-20-17(21)12-11-15(18-20)14-9-5-6-10-16(14)19-24(22,23)13-7-3-2-4-8-13/h2-12,19H,1H3.
What are the key properties of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide?
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71805081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).