1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide

C12H17N3O3S — CID 46344065

IUPAC1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide
SMILESCCN1CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C12H17N3O3S/c1-4-15-8-12(16)13-10-7-9(5-6-11(10)15)19(17,18)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16)
InChIKeyUQARRWUBNUGFSX-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.72
Rot. Bonds3

About 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide

1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 46344065) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide
PubChem CID46344065
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide
SMILESCCN1CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C12H17N3O3S/c1-4-15-8-12(16)13-10-7-9(5-6-11(10)15)19(17,18)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16)
InChIKeyUQARRWUBNUGFSX-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide (CID 46344065) is 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide is CCN1CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is UQARRWUBNUGFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-4-15-8-12(16)13-10-7-9(5-6-11(10)15)19(17,18)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16).
What are the key properties of 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide?
1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 46344065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).