N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide

C14H11N3O2S — CID 166991964

IUPACN-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
SMILESO=c1[nH]c2ccccc2nc1NS(=O)c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-14-13(15-11-8-4-5-9-12(11)16-14)17-20(19)10-6-2-1-3-7-10/h1-9H,(H,15,17)(H,16,18)
InChIKeyMJEFECPSUWWMQT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.06
Rot. Bonds3

About N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide

N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide (PubChem CID 166991964) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide.

Molecular Properties

Compound NameN-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
PubChem CID166991964
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
SMILESO=c1[nH]c2ccccc2nc1NS(=O)c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-14-13(15-11-8-4-5-9-12(11)16-14)17-20(19)10-6-2-1-3-7-10/h1-9H,(H,15,17)(H,16,18)
InChIKeyMJEFECPSUWWMQT-UHFFFAOYSA-N
XLogP2.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
CID 177485359
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
CID 102219110
1H-benzimidazole-2-sulfinate
CID 23000784
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
3-phosphorosooxy-1H-quinoxalin-2-one
CID 57453617
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide?
The IUPAC name of N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide (CID 166991964) is N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide.
What is the SMILES notation for N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide?
The canonical SMILES for N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide is O=c1[nH]c2ccccc2nc1NS(=O)c1ccccc1.
What is the InChIKey of N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide?
The InChIKey is MJEFECPSUWWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14-13(15-11-8-4-5-9-12(11)16-14)17-20(19)10-6-2-1-3-7-10/h1-9H,(H,15,17)(H,16,18).
What are the key properties of N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide?
N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide has a molecular weight of 285.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide is sourced from PubChem (CID 166991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).