N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide

C15H15N3O4S2 — CID 16905631

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C15H15N3O4S2/c1-11-4-7-15(23-11)24(20,21)16-8-9-18-14(19)6-5-12(17-18)13-3-2-10-22-13/h2-7,10,16H,8-9H2,1H3
InChIKeyDUMZLNRCFGFEJF-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 16905631) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID16905631
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C15H15N3O4S2/c1-11-4-7-15(23-11)24(20,21)16-8-9-18-14(19)6-5-12(17-18)13-3-2-10-22-13/h2-7,10,16H,8-9H2,1H3
InChIKeyDUMZLNRCFGFEJF-UHFFFAOYSA-N
XLogP1.85
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (CID 16905631) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)s1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is DUMZLNRCFGFEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-11-4-7-15(23-11)24(20,21)16-8-9-18-14(19)6-5-12(17-18)13-3-2-10-22-13/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 365.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16905631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).