acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one

C18H20N2O5S — CID 70373370

IUPACacetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCC(=O)O.CCC1Nc2ccccc2N(S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H16N2O3S.C2H4O2/c1-2-13-16(19)18(15-11-7-6-10-14(15)17-13)22(20,21)12-8-4-3-5-9-12;1-2(3)4/h3-11,13,17H,2H2,1H3;1H3,(H,3,4)
InChIKeyOYROFIRLBHNKPO-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.70
Rot. Bonds3

About acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one

acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 70373370) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Nameacetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one
PubChem CID70373370
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameacetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCC(=O)O.CCC1Nc2ccccc2N(S(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H16N2O3S.C2H4O2/c1-2-13-16(19)18(15-11-7-6-10-14(15)17-13)22(20,21)12-8-4-3-5-9-12;1-2(3)4/h3-11,13,17H,2H2,1H3;1H3,(H,3,4)
InChIKeyOYROFIRLBHNKPO-UHFFFAOYSA-N
XLogP2.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
(1S,4S,7S,9R)-16-(benzenesulfonyl)-4-ethyl-9-propyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 90264308
(3R,3aS,9aR)-3-acetyl-4-ethyl-1-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-one
CID 11895330
1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
CID 82157142
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
2-(10-methyl-4,5-dihydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid
CID 15633462
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid
CID 70534132
2-(4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 20616168
(3-oxopentan-2-ylideneamino) benzenesulfonate
CID 173378620
4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one
CID 71505777

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one (CID 70373370) is acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one is CC(=O)O.CCC1Nc2ccccc2N(S(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is OYROFIRLBHNKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S.C2H4O2/c1-2-13-16(19)18(15-11-7-6-10-14(15)17-13)22(20,21)12-8-4-3-5-9-12;1-2(3)4/h3-11,13,17H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one?
acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 376.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(benzenesulfonyl)-3-ethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 70373370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).