N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide

C16H14ClN3O3S — CID 2410711

IUPACN-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-2-23-11-7-9-12(10-8-11)24(21,22)20-16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyYCAWSRFYBFUHRD-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.48
Rot. Bonds5

About N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide (PubChem CID 2410711) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
PubChem CID2410711
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-2-23-11-7-9-12(10-8-11)24(21,22)20-16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyYCAWSRFYBFUHRD-UHFFFAOYSA-N
XLogP3.48
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(3-chloroquinoxalin-2-yl)sulfamoyl]phenoxy]acetate
CID 59353036
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
CID 102990310
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 58373519
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide;4-[(3-chloroquinoxalin-2-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 139450244

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide (CID 2410711) is N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is YCAWSRFYBFUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-2-23-11-7-9-12(10-8-11)24(21,22)20-16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.48, 5 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)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2410711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).