4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C18H17N3O4S — CID 127024855

IUPAC4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
InChIKeyXYEWQCLAORPMAF-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.95
Rot. Bonds5

About 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 127024855) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID127024855
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
InChIKeyXYEWQCLAORPMAF-UHFFFAOYSA-N
XLogP1.95
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 127024855) is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is CCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is XYEWQCLAORPMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24).
What are the key properties of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127024855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).