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

C15H18N4O4S2 — CID 20939789

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C15H18N4O4S2/c20-13-6-4-11(17-18-13)12-5-7-15(24-12)25(22,23)16-8-2-10-19-9-1-3-14(19)21/h4-7,16H,1-3,8-10H2,(H,18,20)
InChIKeyVWGASSQMMNCCOV-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.79
Rot. Bonds7

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

5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 20939789) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID20939789
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C15H18N4O4S2/c20-13-6-4-11(17-18-13)12-5-7-15(24-12)25(22,23)16-8-2-10-19-9-1-3-14(19)21/h4-7,16H,1-3,8-10H2,(H,18,20)
InChIKeyVWGASSQMMNCCOV-UHFFFAOYSA-N
XLogP0.79
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92706628
5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110722837
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
CID 67987669
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide (CID 20939789) is 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is VWGASSQMMNCCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c20-13-6-4-11(17-18-13)12-5-7-15(24-12)25(22,23)16-8-2-10-19-9-1-3-14(19)21/h4-7,16H,1-3,8-10H2,(H,18,20).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 382.47 g/mol, XLogP of 0.79, 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-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20939789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).