4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide

C13H17N3O3S2 — CID 53135057

IUPAC4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCn1nc(-c2csc(S(=O)(=O)NC(C)C)c2)ccc1=O
InChIInChI=1S/C13H17N3O3S2/c1-4-16-12(17)6-5-11(14-16)10-7-13(20-8-10)21(18,19)15-9(2)3/h5-9,15H,4H2,1-3H3
InChIKeySGNPSUSEGFDVST-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.68
Rot. Bonds5

About 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide

4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 53135057) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID53135057
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCn1nc(-c2csc(S(=O)(=O)NC(C)C)c2)ccc1=O
InChIInChI=1S/C13H17N3O3S2/c1-4-16-12(17)6-5-11(14-16)10-7-13(20-8-10)21(18,19)15-9(2)3/h5-9,15H,4H2,1-3H3
InChIKeySGNPSUSEGFDVST-UHFFFAOYSA-N
XLogP1.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide (CID 53135057) is 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide is CCn1nc(-c2csc(S(=O)(=O)NC(C)C)c2)ccc1=O.
What is the InChIKey of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is SGNPSUSEGFDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-4-16-12(17)6-5-11(14-16)10-7-13(20-8-10)21(18,19)15-9(2)3/h5-9,15H,4H2,1-3H3.
What are the key properties of 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide?
4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-oxopyridazin-3-yl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 53135057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).