N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide

C24H23N3O4S — CID 41241586

IUPACN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-21-10-7-19(8-11-21)23-13-14-24(28)27(26-23)16-15-25-32(29,30)22-12-9-18-5-3-4-6-20(18)17-22/h3-14,17,25H,2,15-16H2,1H3
InChIKeyJXBLFQOYQQRWHF-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.44
Rot. Bonds8

About N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 41241586) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID41241586
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-31-21-10-7-19(8-11-21)23-13-14-24(28)27(26-23)16-15-25-32(29,30)22-12-9-18-5-3-4-6-20(18)17-22/h3-14,17,25H,2,15-16H2,1H3
InChIKeyJXBLFQOYQQRWHF-UHFFFAOYSA-N
XLogP3.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41241538
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16826007
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-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 41241586) is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide is CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is JXBLFQOYQQRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-2-31-21-10-7-19(8-11-21)23-13-14-24(28)27(26-23)16-15-25-32(29,30)22-12-9-18-5-3-4-6-20(18)17-22/h3-14,17,25H,2,15-16H2,1H3.
What are the key properties of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 41241586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).