N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide

C25H24FN5O2S — CID 2339208

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H24FN5O2S/c1-18-10-12-19(13-11-18)34(32,33)29-24-25(28-22-8-4-3-7-21(22)27-24)31-16-14-30(15-17-31)23-9-5-2-6-20(23)26/h2-13H,14-17H2,1H3,(H,27,29)
InChIKeyWBAAXHOJXHVPOC-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.20
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 2339208) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID2339208
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H24FN5O2S/c1-18-10-12-19(13-11-18)34(32,33)29-24-25(28-22-8-4-3-7-21(22)27-24)31-16-14-30(15-17-31)23-9-5-2-6-20(23)26/h2-13H,14-17H2,1H3,(H,27,29)
InChIKeyWBAAXHOJXHVPOC-UHFFFAOYSA-N
XLogP4.20
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 2339208) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is WBAAXHOJXHVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-18-10-12-19(13-11-18)34(32,33)29-24-25(28-22-8-4-3-7-21(22)27-24)31-16-14-30(15-17-31)23-9-5-2-6-20(23)26/h2-13H,14-17H2,1H3,(H,27,29).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 477.57 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2339208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).