N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C14H13N3O4S2 — CID 20923084

IUPACN-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C14H13N3O4S2/c1-17(9-10-3-2-8-21-10)23(19,20)14-7-5-12(22-14)11-4-6-13(18)16-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyRQOQSIPIKBTXGW-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.91
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923084) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923084
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C14H13N3O4S2/c1-17(9-10-3-2-8-21-10)23(19,20)14-7-5-12(22-14)11-4-6-13(18)16-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyRQOQSIPIKBTXGW-UHFFFAOYSA-N
XLogP1.91
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923084) is N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is RQOQSIPIKBTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-17(9-10-3-2-8-21-10)23(19,20)14-7-5-12(22-14)11-4-6-13(18)16-15-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).