2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

C21H23N3O4S — CID 16825990

IUPAC2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H23N3O4S/c1-15-13-19(28-3)20(14-16(15)2)29(26,27)22-11-12-24-21(25)10-9-18(23-24)17-7-5-4-6-8-17/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyPYDPPXCHSCJHKD-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.51
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16825990) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16825990
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H23N3O4S/c1-15-13-19(28-3)20(14-16(15)2)29(26,27)22-11-12-24-21(25)10-9-18(23-24)17-7-5-4-6-8-17/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyPYDPPXCHSCJHKD-UHFFFAOYSA-N
XLogP2.51
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
3-fluoro-4-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825985
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
3,4-dimethoxy-N-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42138790
2,4-dichloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylbenzenesulfonamide
CID 121034014
4-methoxy-2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516337
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447
3,5-difluoro-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033963
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide (CID 16825990) is 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is PYDPPXCHSCJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-13-19(28-3)20(14-16(15)2)29(26,27)22-11-12-24-21(25)10-9-18(23-24)17-7-5-4-6-8-17/h4-10,13-14,22H,11-12H2,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16825990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).