4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide

C16H21N5O3S — CID 155512225

IUPAC4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O3S/c1-2-19-7-9-20(10-8-19)14-11-16(22)21(18-12-14)13-3-5-15(6-4-13)25(17,23)24/h3-6,11-12H,2,7-10H2,1H3,(H2,17,23,24)
InChIKeyVEEDWNISCIZQOY-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.02
Rot. Bonds4

About 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 155512225) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID155512225
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C16H21N5O3S/c1-2-19-7-9-20(10-8-19)14-11-16(22)21(18-12-14)13-3-5-15(6-4-13)25(17,23)24/h3-6,11-12H,2,7-10H2,1H3,(H2,17,23,24)
InChIKeyVEEDWNISCIZQOY-UHFFFAOYSA-N
XLogP0.02
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 155512225) is 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide is CCN1CCN(c2cnn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2)CC1.
What is the InChIKey of 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is VEEDWNISCIZQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-2-19-7-9-20(10-8-19)14-11-16(22)21(18-12-14)13-3-5-15(6-4-13)25(17,23)24/h3-6,11-12H,2,7-10H2,1H3,(H2,17,23,24).
What are the key properties of 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 155512225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).