4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one

C15H14N2O4S — CID 72874580

IUPAC4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-14-11-21-13-7-4-8-16-15(13)17(14)9-10-22(19,20)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyBOUDEXIMGNFMHZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.28
Rot. Bonds4

About 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72874580) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72874580
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-14-11-21-13-7-4-8-16-15(13)17(14)9-10-22(19,20)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyBOUDEXIMGNFMHZ-UHFFFAOYSA-N
XLogP1.28
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 134114793
4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 58102122
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72890647
4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 11837222
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72881646
4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72860249
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72931501
4-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97273464
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 72940940
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97268251
2-[3-(benzenesulfonyl)propyl]pyridazin-3-one
CID 99844129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72874580) is 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is BOUDEXIMGNFMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14-11-21-13-7-4-8-16-15(13)17(14)9-10-22(19,20)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 318.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72874580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).