N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C14H13N3O4S2 — CID 20923064

IUPACN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)o1
InChIInChI=1S/C14H13N3O4S2/c1-9-2-3-10(21-9)8-15-23(19,20)14-7-5-12(22-14)11-4-6-13(18)17-16-11/h2-7,15H,8H2,1H3,(H,17,18)
InChIKeyWRPDDATWFDDUCQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.88
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923064) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923064
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)o1
InChIInChI=1S/C14H13N3O4S2/c1-9-2-3-10(21-9)8-15-23(19,20)14-7-5-12(22-14)11-4-6-13(18)17-16-11/h2-7,15H,8H2,1H3,(H,17,18)
InChIKeyWRPDDATWFDDUCQ-UHFFFAOYSA-N
XLogP1.88
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923064) is N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is WRPDDATWFDDUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-9-2-3-10(21-9)8-15-23(19,20)14-7-5-12(22-14)11-4-6-13(18)17-16-11/h2-7,15H,8H2,1H3,(H,17,18).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).