N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide

C15H21N3O3S — CID 20888101

IUPACN,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)NC(=O)C1CCCN21
InChIInChI=1S/C15H21N3O3S/c1-3-17(4-2)22(20,21)11-7-8-13-12(10-11)16-15(19)14-6-5-9-18(13)14/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyDAKYRIUIGYQQFY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.64
Rot. Bonds4

About N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide

N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide (PubChem CID 20888101) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
PubChem CID20888101
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)NC(=O)C1CCCN21
InChIInChI=1S/C15H21N3O3S/c1-3-17(4-2)22(20,21)11-7-8-13-12(10-11)16-15(19)14-6-5-9-18(13)14/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyDAKYRIUIGYQQFY-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide?
The IUPAC name of N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide (CID 20888101) is N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide?
The canonical SMILES for N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)NC(=O)C1CCCN21.
What is the InChIKey of N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide?
The InChIKey is DAKYRIUIGYQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-17(4-2)22(20,21)11-7-8-13-12(10-11)16-15(19)14-6-5-9-18(13)14/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide?
N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide is sourced from PubChem (CID 20888101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).