5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C14H18N4O3S2 — CID 20939807

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1
InChIInChI=1S/C14H18N4O3S2/c19-13-5-3-11(16-17-13)12-4-6-14(22-12)23(20,21)15-7-10-18-8-1-2-9-18/h3-6,15H,1-2,7-10H2,(H,17,19)
InChIKeyWBRKRSKJPXENFD-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.87
Rot. Bonds6

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

5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 20939807) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID20939807
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1
InChIInChI=1S/C14H18N4O3S2/c19-13-5-3-11(16-17-13)12-4-6-14(22-12)23(20,21)15-7-10-18-8-1-2-9-18/h3-6,15H,1-2,7-10H2,(H,17,19)
InChIKeyWBRKRSKJPXENFD-UHFFFAOYSA-N
XLogP0.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
6-[5-({4-[Methyl(propan-2-YL)amino]piperidin-1-YL}sulfonyl)thiophen-2-YL]-2,3-dihydropyridazin-3-one
CID 20939822
N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 6624608
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905799
N-[2-(cyclohexen-1-yl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20922994
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054
N-[3-(azepan-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939805
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-({1-[2-(thiophen-2-YL)ethyl]piperidin-4-YL}methyl)thiophene-2-sulfonamide
CID 20939857
2-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16672235
5-ethyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)thiophene-2-sulfonamide
CID 16905800
N,N-dibutyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923009

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 20939807) is 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is WBRKRSKJPXENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c19-13-5-3-11(16-17-13)12-4-6-14(22-12)23(20,21)15-7-10-18-8-1-2-9-18/h3-6,15H,1-2,7-10H2,(H,17,19).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 354.46 g/mol, XLogP of 0.87, 6 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-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).