N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide

C21H23N3O4S — CID 16820346

IUPACN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)CCc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O4S/c1-28-19-9-7-18(8-10-19)20-11-12-21(25)24(23-20)15-14-22-29(26,27)16-13-17-5-3-2-4-6-17/h2-12,22H,13-16H2,1H3
InChIKeySOCLRURNPHUUOW-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.08
Rot. Bonds9

About N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide (PubChem CID 16820346) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
PubChem CID16820346
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)CCc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3O4S/c1-28-19-9-7-18(8-10-19)20-11-12-21(25)24(23-20)15-14-22-29(26,27)16-13-17-5-3-2-4-6-17/h2-12,22H,13-16H2,1H3
InChIKeySOCLRURNPHUUOW-UHFFFAOYSA-N
XLogP2.08
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide
CID 90518927
3-acetyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034025
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41241369
2,4-dichloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylbenzenesulfonamide
CID 121034014
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16826007
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide (CID 16820346) is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide is COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)CCc3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The InChIKey is SOCLRURNPHUUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-28-19-9-7-18(8-10-19)20-11-12-21(25)24(23-20)15-14-22-29(26,27)16-13-17-5-3-2-4-6-17/h2-12,22H,13-16H2,1H3.
What are the key properties of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide?
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 16820346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).