2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

C21H23N3O3S — CID 18569765

IUPAC2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(C)c1
InChIInChI=1S/C21H23N3O3S/c1-15-13-16(2)21(17(3)14-15)28(26,27)22-11-12-24-20(25)10-9-19(23-24)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyICPCTVUWRLBZEE-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.81
Rot. Bonds6

About 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 18569765) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID18569765
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(C)c1
InChIInChI=1S/C21H23N3O3S/c1-15-13-16(2)21(17(3)14-15)28(26,27)22-11-12-24-20(25)10-9-19(23-24)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyICPCTVUWRLBZEE-UHFFFAOYSA-N
XLogP2.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41241538
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285
2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
CID 95122748
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 18569765) is 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ICPCTVUWRLBZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-13-16(2)21(17(3)14-15)28(26,27)22-11-12-24-20(25)10-9-19(23-24)18-7-5-4-6-8-18/h4-10,13-14,22H,11-12H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18569765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).