N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide

C21H27N5O5S — CID 90539285

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(OCC)c1
InChIInChI=1S/C21H27N5O5S/c1-5-30-17-7-8-19(18(14-17)31-6-2)32(28,29)22-11-12-25-21(27)10-9-20(24-25)26-16(4)13-15(3)23-26/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChIKeyUUADCFLLARHNJR-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.82
Rot. Bonds10

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide (PubChem CID 90539285) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide
PubChem CID90539285
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(OCC)c1
InChIInChI=1S/C21H27N5O5S/c1-5-30-17-7-8-19(18(14-17)31-6-2)32(28,29)22-11-12-25-21(27)10-9-20(24-25)26-16(4)13-15(3)23-26/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChIKeyUUADCFLLARHNJR-UHFFFAOYSA-N
XLogP1.82
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276
5-bromo-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 90539251
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 90539263
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 90539225
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90539287
2,4-diethoxy-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516437
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 41241629
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 90538978
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 90538991

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide (CID 90539285) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(OCC)c1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide?
The InChIKey is UUADCFLLARHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-5-30-17-7-8-19(18(14-17)31-6-2)32(28,29)22-11-12-25-21(27)10-9-20(24-25)26-16(4)13-15(3)23-26/h7-10,13-14,22H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide has a molecular weight of 461.54 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 90539285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).