benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate

C17H15N3O6S — CID 31068036

IUPACbenzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)OCc1ccccc1
InChIInChI=1S/C17H15N3O6S/c21-15(26-10-11-4-2-1-3-5-11)9-18-27(24,25)12-6-7-13-14(8-12)20-17(23)16(22)19-13/h1-8,18H,9-10H2,(H,19,22)(H,20,23)
InChIKeyFBQOEDPLFDMRIR-UHFFFAOYSA-N
MW389.39 g/mol
LogP0.24
Rot. Bonds6

About benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate

benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate (PubChem CID 31068036) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate
PubChem CID31068036
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC Namebenzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)OCc1ccccc1
InChIInChI=1S/C17H15N3O6S/c21-15(26-10-11-4-2-1-3-5-11)9-18-27(24,25)12-6-7-13-14(8-12)20-17(23)16(22)19-13/h1-8,18H,9-10H2,(H,19,22)(H,20,23)
InChIKeyFBQOEDPLFDMRIR-UHFFFAOYSA-N
XLogP0.24
TPSA138.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoate
CID 154361009
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
CID 2064173
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
benzyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate
CID 41120096
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847537
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
(3-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839574

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate?
The IUPAC name of benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate (CID 31068036) is benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate.
What is the SMILES notation for benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate?
The canonical SMILES for benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate?
The InChIKey is FBQOEDPLFDMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c21-15(26-10-11-4-2-1-3-5-11)9-18-27(24,25)12-6-7-13-14(8-12)20-17(23)16(22)19-13/h1-8,18H,9-10H2,(H,19,22)(H,20,23).
What are the key properties of benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate?
benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate has a molecular weight of 389.39 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetate is sourced from PubChem (CID 31068036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).