N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

C14H17N3O3S — CID 118022305

IUPACN-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)13-8-10(2)14(18)17(3)15-13/h5-9,16H,4H2,1-3H3
InChIKeySLAPSWPNFURCDP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide

N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (PubChem CID 118022305) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
PubChem CID118022305
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)13-8-10(2)14(18)17(3)15-13/h5-9,16H,4H2,1-3H3
InChIKeySLAPSWPNFURCDP-UHFFFAOYSA-N
XLogP1.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(1-propionyl-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 16189360
1-benzyl-N-[[3-(methanesulfonamido)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 45865365
1-(2,5-difluorophenyl)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 71805085
N-[3-(1,5-dimethyl-6-oxopyridin-3-yl)phenyl]methanesulfonamide
CID 118022363
US10941160, Example 480
CID 146600167
N-{3-[1-(2-methylpropanoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 3313807
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
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)propane-1-sulfonamide
CID 18588402
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)propionamide
CID 18588451
N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzenesulfonamide
CID 71805081
(E)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-2-(p-tolyl)ethenesulfonamide
CID 86264195

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide (CID 118022305) is N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)n2)c1.
What is the InChIKey of N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
The InChIKey is SLAPSWPNFURCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-21(19,20)16-12-7-5-6-11(9-12)13-8-10(2)14(18)17(3)15-13/h5-9,16H,4H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,5-dimethyl-6-oxopyridazin-3-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 118022305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).