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

C24H21ClFN5O2S — CID 1325905

IUPAC4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29)
InChIKeyDKCNXHOCGXTEGV-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.55
Rot. Bonds5

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

4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1325905) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
PubChem CID1325905
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC Name4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29)
InChIKeyDKCNXHOCGXTEGV-UHFFFAOYSA-N
XLogP4.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (CID 1325905) is 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is DKCNXHOCGXTEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29).
What are the key properties of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 497.98 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1325905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).