4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide

C23H21FN4O4S — CID 24992803

IUPAC4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O4S/c1-32-17-9-6-15(12-13-29)21(14-17)27-22-23(26-20-5-3-2-4-19(20)25-22)28-33(30,31)18-10-7-16(24)8-11-18/h2-11,14,29H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyBIBNTEBNVNUTNS-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.86
Rot. Bonds8

About 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide

4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 24992803) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID24992803
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC Name4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O4S/c1-32-17-9-6-15(12-13-29)21(14-17)27-22-23(26-20-5-3-2-4-19(20)25-22)28-33(30,31)18-10-7-16(24)8-11-18/h2-11,14,29H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyBIBNTEBNVNUTNS-UHFFFAOYSA-N
XLogP3.86
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide (CID 24992803) is 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is BIBNTEBNVNUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-32-17-9-6-15(12-13-29)21(14-17)27-22-23(26-20-5-3-2-4-19(20)25-22)28-33(30,31)18-10-7-16(24)8-11-18/h2-11,14,29H,12-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide?
4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 468.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 24992803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).