2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide

C18H21N3O4S — CID 53073381

IUPAC2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22)
InChIKeyUDZJKHNINKGSCK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.52
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide

2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (PubChem CID 53073381) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
PubChem CID53073381
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22)
InChIKeyUDZJKHNINKGSCK-UHFFFAOYSA-N
XLogP1.52
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide (CID 53073381) is 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide is O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NC1CCCCC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is UDZJKHNINKGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-16(19-14-7-3-1-4-8-14)13-21-18(23)12-11-17(20-21)26(24,25)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,19,22).
What are the key properties of 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide?
2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 375.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 53073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).