4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide

C23H21ClN6O2S — CID 1253223

IUPAC4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
InChIKeyNMYZWOBMMAIJOS-UHFFFAOYSA-N
MW480.98 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1253223) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID1253223
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC Name4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
InChIKeyNMYZWOBMMAIJOS-UHFFFAOYSA-N
XLogP3.81
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide
CID 72462
N-[2-chloro-5-[3-(cyclohexylmethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608114
N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610316
N-[5-[3-(4-acetylpiperazin-1-yl)quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610317
N-[2-chloro-5-[3-(2-phenylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610483
N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
2-[4-(4-Chlorophenyl)piperazin-1-yl]quinoxaline
CID 2764801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 1253223) is 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is NMYZWOBMMAIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28).
What are the key properties of 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 480.98 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).