5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C20H23N5O3S2 — CID 20939865

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)s2)n[nH]1
InChIInChI=1S/C20H23N5O3S2/c26-19-8-6-17(22-23-19)18-7-9-20(29-18)30(27,28)21-10-11-24-12-14-25(15-13-24)16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,23,26)
InChIKeyMZAUMOWXCZWUNS-UHFFFAOYSA-N
MW445.57 g/mol
LogP1.60
Rot. Bonds7

About 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 20939865) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID20939865
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)s2)n[nH]1
InChIInChI=1S/C20H23N5O3S2/c26-19-8-6-17(22-23-19)18-7-9-20(29-18)30(27,28)21-10-11-24-12-14-25(15-13-24)16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,23,26)
InChIKeyMZAUMOWXCZWUNS-UHFFFAOYSA-N
XLogP1.60
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 20939865) is 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MZAUMOWXCZWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c26-19-8-6-17(22-23-19)18-7-9-20(29-18)30(27,28)21-10-11-24-12-14-25(15-13-24)16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H,23,26).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 445.57 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20939865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).