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

C18H21N5O3S — CID 71790908

IUPACN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1C
InChIInChI=1S/C18H21N5O3S/c1-13-10-15(3)16(11-14(13)2)27(25,26)20-7-9-23-18(24)5-4-17(21-23)22-8-6-19-12-22/h4-6,8,10-12,20H,7,9H2,1-3H3
InChIKeyIQYZTYQSLSJXKS-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.33
Rot. Bonds6

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

N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 71790908) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID71790908
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1C
InChIInChI=1S/C18H21N5O3S/c1-13-10-15(3)16(11-14(13)2)27(25,26)20-7-9-23-18(24)5-4-17(21-23)22-8-6-19-12-22/h4-6,8,10-12,20H,7,9H2,1-3H3
InChIKeyIQYZTYQSLSJXKS-UHFFFAOYSA-N
XLogP1.33
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide (CID 71790908) is N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1C.
What is the InChIKey of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is IQYZTYQSLSJXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-13-10-15(3)16(11-14(13)2)27(25,26)20-7-9-23-18(24)5-4-17(21-23)22-8-6-19-12-22/h4-6,8,10-12,20H,7,9H2,1-3H3.
What are the key properties of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide?
N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 71790908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).