5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide

C11H13N3O3S2 — CID 42226752

IUPAC5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1
InChIInChI=1S/C11H13N3O3S2/c1-9-4-5-11(18-9)19(16,17)13-7-8-14-10(15)3-2-6-12-14/h2-6,13H,7-8H2,1H3
InChIKeyRCRCSMAWFQEGIP-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.59
Rot. Bonds5

About 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 42226752) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID42226752
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1
InChIInChI=1S/C11H13N3O3S2/c1-9-4-5-11(18-9)19(16,17)13-7-8-14-10(15)3-2-6-12-14/h2-6,13H,7-8H2,1H3
InChIKeyRCRCSMAWFQEGIP-UHFFFAOYSA-N
XLogP0.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 42226752) is 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1.
What is the InChIKey of 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RCRCSMAWFQEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-9-4-5-11(18-9)19(16,17)13-7-8-14-10(15)3-2-6-12-14/h2-6,13H,7-8H2,1H3.
What are the key properties of 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42226752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).