7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

C53H41BrCl3F3N12O4S2 — CID 160662339

IUPAC7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.Clc1cnc2ccc(Br)cc2n1.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H26ClFN6O2S.C19H11ClF2N4O2S.C8H4BrClN2/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21;20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;9-5-1-2-6-7(3-5)12-8(10)4-11-6/h3-8,13-17,32H,9-12H2,1-2H3;1-10,26H;1-4H
InChIKeyRLVNHVYZDFYZET-UHFFFAOYSA-N
MW1217.38 g/mol
LogP12.29
Rot. Bonds10

About 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 160662339) has the molecular formula C53H41BrCl3F3N12O4S2 and a molecular weight of 1217.38 g/mol. Its IUPAC name is 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID160662339
Molecular FormulaC53H41BrCl3F3N12O4S2
Molecular Weight1217.38 g/mol
Exact Mass1214.10
IUPAC Name7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.Clc1cnc2ccc(Br)cc2n1.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H26ClFN6O2S.C19H11ClF2N4O2S.C8H4BrClN2/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21;20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;9-5-1-2-6-7(3-5)12-8(10)4-11-6/h3-8,13-17,32H,9-12H2,1-2H3;1-10,26H;1-4H
InChIKeyRLVNHVYZDFYZET-UHFFFAOYSA-N
XLogP12.29
TPSA201.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.38
LogP ≤ 512.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

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-[benzyl(methyl)amino]quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608115
N-[2-chloro-5-[3-[1-(4-fluorophenyl)ethylamino]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610318
N-[2-chloro-5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57843466
N-[2-chloro-5-[2-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53361721
N-[2-chloro-5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 153197807
N-(2-chloro-5-{3-[3-(dimethylamino)-1-piperidinyl]-6-quinoxalinyl}-3-pyridinyl)benzenesulfonamide
CID 57843447
N-[2-chloro-5-[3-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 57843477
N-(2-chloro-5-{3-[4-(methylsulfonyl)-1-piperazinyl]-6-quinoxalinyl}-3-pyridinyl)benzenesulfonamide
CID 57843488
carbanide;N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;yttrium
CID 153197806

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 160662339) is 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is CC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.Clc1cnc2ccc(Br)cc2n1.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is RLVNHVYZDFYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O2S.C19H11ClF2N4O2S.C8H4BrClN2/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21;20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;9-5-1-2-6-7(3-5)12-8(10)4-11-6/h3-8,13-17,32H,9-12H2,1-2H3;1-10,26H;1-4H.
What are the key properties of 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 1217.38 g/mol, XLogP of 12.29, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloroquinoxaline;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 160662339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).