N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide

C21H17FN4O3S — CID 2025854

IUPACN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C21H17FN4O3S/c1-29-14-10-12-15(13-11-14)30(27,28)26-21-20(23-17-7-3-2-6-16(17)22)24-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyCNINLDDRSJTLRM-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.32
Rot. Bonds6

About N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide

N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 2025854) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
PubChem CID2025854
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C21H17FN4O3S/c1-29-14-10-12-15(13-11-14)30(27,28)26-21-20(23-17-7-3-2-6-16(17)22)24-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyCNINLDDRSJTLRM-UHFFFAOYSA-N
XLogP4.32
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-(hydroxyamino)benzenesulfonamide
CID 89234618
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide (CID 2025854) is N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)cc1.
What is the InChIKey of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is CNINLDDRSJTLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-29-14-10-12-15(13-11-14)30(27,28)26-21-20(23-17-7-3-2-6-16(17)22)24-18-8-4-5-9-19(18)25-21/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 424.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2025854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).