5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide

C16H17N3O3S3 — CID 20970046

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)c1cccs1
InChIInChI=1S/C16H17N3O3S3/c1-2-4-12(13-5-3-10-23-13)19-25(21,22)16-9-7-14(24-16)11-6-8-15(20)18-17-11/h3,5-10,12,19H,2,4H2,1H3,(H,18,20)
InChIKeyNTUCDNWLZLXIGS-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.38
Rot. Bonds7

About 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide (PubChem CID 20970046) has the molecular formula C16H17N3O3S3 and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
PubChem CID20970046
Molecular FormulaC16H17N3O3S3
Molecular Weight395.53 g/mol
Exact Mass395.04
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
SMILESCCCC(NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)c1cccs1
InChIInChI=1S/C16H17N3O3S3/c1-2-4-12(13-5-3-10-23-13)19-25(21,22)16-9-7-14(24-16)11-6-8-15(20)18-17-11/h3,5-10,12,19H,2,4H2,1H3,(H,18,20)
InChIKeyNTUCDNWLZLXIGS-UHFFFAOYSA-N
XLogP3.38
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide (CID 20970046) is 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide is CCCC(NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)c1cccs1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide?
The InChIKey is NTUCDNWLZLXIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S3/c1-2-4-12(13-5-3-10-23-13)19-25(21,22)16-9-7-14(24-16)11-6-8-15(20)18-17-11/h3,5-10,12,19H,2,4H2,1H3,(H,18,20).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20970046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).