(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide

C17H17N5O3S — CID 71790920

IUPAC(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
SMILESO=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17N5O3S/c23-17-7-6-16(21-11-9-18-14-21)20-22(17)12-10-19-26(24,25)13-8-15-4-2-1-3-5-15/h1-9,11,13-14,19H,10,12H2/b13-8+
InChIKeyMUNOQGNMFPGYKG-MDWZMJQESA-N
MW371.42 g/mol
LogP1.02
Rot. Bonds7

About (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide

(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide (PubChem CID 71790920) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
PubChem CID71790920
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
SMILESO=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17N5O3S/c23-17-7-6-16(21-11-9-18-14-21)20-22(17)12-10-19-26(24,25)13-8-15-4-2-1-3-5-15/h1-9,11,13-14,19H,10,12H2/b13-8+
InChIKeyMUNOQGNMFPGYKG-MDWZMJQESA-N
XLogP1.02
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 56765838
(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 121034453
2-phenyl-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]ethenesulfonamide
CID 171130620
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 30854792
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
CID 34105825
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylethenesulfonamide
CID 103834908
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
CID 11080449
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide (CID 71790920) is (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide is O=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
The InChIKey is MUNOQGNMFPGYKG-MDWZMJQESA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17-7-6-16(21-11-9-18-14-21)20-22(17)12-10-19-26(24,25)13-8-15-4-2-1-3-5-15/h1-9,11,13-14,19H,10,12H2/b13-8+.
What are the key properties of (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide?
(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 71790920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).