N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide

C14H13N3O4S2 — CID 110396503

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccccc2n(CCNS(=O)(=O)c2cccs2)c1=O
InChIInChI=1S/C14H13N3O4S2/c18-13-14(19)17(11-5-2-1-4-10(11)16-13)8-7-15-23(20,21)12-6-3-9-22-12/h1-6,9,15H,7-8H2,(H,16,18)
InChIKeyGGECOUADXSJYOW-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.73
Rot. Bonds5

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110396503) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110396503
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccccc2n(CCNS(=O)(=O)c2cccs2)c1=O
InChIInChI=1S/C14H13N3O4S2/c18-13-14(19)17(11-5-2-1-4-10(11)16-13)8-7-15-23(20,21)12-6-3-9-22-12/h1-6,9,15H,7-8H2,(H,16,18)
InChIKeyGGECOUADXSJYOW-UHFFFAOYSA-N
XLogP0.73
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110396504
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
CID 110396405
N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 71835322
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110396500
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide (CID 110396503) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1[nH]c2ccccc2n(CCNS(=O)(=O)c2cccs2)c1=O.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GGECOUADXSJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c18-13-14(19)17(11-5-2-1-4-10(11)16-13)8-7-15-23(20,21)12-6-3-9-22-12/h1-6,9,15H,7-8H2,(H,16,18).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110396503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).