N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide

C12H14ClN3O3S — CID 102990310

IUPACN-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H14ClN3O3S/c1-2-19-7-8-20(17,18)16-12-11(13)14-9-5-3-4-6-10(9)15-12/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyAXTFSDAVIMFISE-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.06
Rot. Bonds6

About N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide

N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide (PubChem CID 102990310) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
PubChem CID102990310
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC NameN-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H14ClN3O3S/c1-2-19-7-8-20(17,18)16-12-11(13)14-9-5-3-4-6-10(9)15-12/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyAXTFSDAVIMFISE-UHFFFAOYSA-N
XLogP2.06
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide (CID 102990310) is N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide?
The InChIKey is AXTFSDAVIMFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-2-19-7-8-20(17,18)16-12-11(13)14-9-5-3-4-6-10(9)15-12/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide?
N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 102990310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).