N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide

C15H14N4O5S — CID 132765285

IUPACN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3ccnnc3)cc2NC1=O
InChIInChI=1S/C15H14N4O5S/c1-2-12-15(21)18-11-7-10(3-4-13(11)24-12)25(22,23)19-14(20)9-5-6-16-17-8-9/h3-8,12H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyAJZVMMMCDRGCAZ-UHFFFAOYSA-N
MW362.37 g/mol
LogP0.70
Rot. Bonds4

About N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide

N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide (PubChem CID 132765285) has the molecular formula C15H14N4O5S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
PubChem CID132765285
Molecular FormulaC15H14N4O5S
Molecular Weight362.37 g/mol
Exact Mass362.07
IUPAC NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3ccnnc3)cc2NC1=O
InChIInChI=1S/C15H14N4O5S/c1-2-12-15(21)18-11-7-10(3-4-13(11)24-12)25(22,23)19-14(20)9-5-6-16-17-8-9/h3-8,12H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyAJZVMMMCDRGCAZ-UHFFFAOYSA-N
XLogP0.70
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide (CID 132765285) is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide is CCC1Oc2ccc(S(=O)(=O)NC(=O)c3ccnnc3)cc2NC1=O.
What is the InChIKey of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide?
The InChIKey is AJZVMMMCDRGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S/c1-2-12-15(21)18-11-7-10(3-4-13(11)24-12)25(22,23)19-14(20)9-5-6-16-17-8-9/h3-8,12H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide?
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide is sourced from PubChem (CID 132765285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).