N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide

C15H15N3O4S2 — CID 110396504

IUPACN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)s1
InChIInChI=1S/C15H15N3O4S2/c1-10-6-7-13(23-10)24(21,22)16-8-9-18-12-5-3-2-4-11(12)17-14(19)15(18)20/h2-7,16H,8-9H2,1H3,(H,17,19)
InChIKeySIPXADQYGHXZTA-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110396504) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID110396504
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC NameN-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)s1
InChIInChI=1S/C15H15N3O4S2/c1-10-6-7-13(23-10)24(21,22)16-8-9-18-12-5-3-2-4-11(12)17-14(19)15(18)20/h2-7,16H,8-9H2,1H3,(H,17,19)
InChIKeySIPXADQYGHXZTA-UHFFFAOYSA-N
XLogP1.04
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 110396504) is N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)s1.
What is the InChIKey of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is SIPXADQYGHXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-10-6-7-13(23-10)24(21,22)16-8-9-18-12-5-3-2-4-11(12)17-14(19)15(18)20/h2-7,16H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 365.44 g/mol, XLogP of 1.04, 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]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110396504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).