N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C60H45BCl4F3N11O8S3 — CID 158840474

IUPACN-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3ncc(Cl)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN5O2S.C19H11Cl2FN4O2S.C17H19BClFN2O4S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15;20-18-10-23-15-6-1-11(7-16(15)25-18)12-8-17(19(21)24-9-12)26-29(27,28)14-4-2-13(22)3-5-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13/h1-14,31H;1-10,26H;5-10,22H,1-4H3
InChIKeyIYEDCKURTJIKON-UHFFFAOYSA-N
MW1353.91 g/mol
LogP13.26
Rot. Bonds13

About N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 158840474) has the molecular formula C60H45BCl4F3N11O8S3 and a molecular weight of 1353.91 g/mol. Its IUPAC name is N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID158840474
Molecular FormulaC60H45BCl4F3N11O8S3
Molecular Weight1353.91 g/mol
Exact Mass1351.14
IUPAC NameN-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3ncc(Cl)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN5O2S.C19H11Cl2FN4O2S.C17H19BClFN2O4S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15;20-18-10-23-15-6-1-11(7-16(15)25-18)12-8-17(19(21)24-9-12)26-29(27,28)14-4-2-13(22)3-5-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13/h1-14,31H;1-10,26H;5-10,22H,1-4H3
InChIKeyIYEDCKURTJIKON-UHFFFAOYSA-N
XLogP13.26
TPSA260.09 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001353.91
LogP ≤ 513.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-Chloro-5-(3-(pyridin-4-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 53363611
N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 58229513
N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 157495336
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide
CID 157707139
2-chloro-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide
CID 158527214
N-[2-chloro-5-[3-(dimethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 158707713
5-bromo-2-chloro-N,N-bis[(4-fluorophenyl)methyl]pyridin-3-amine;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;7-bromo-2-methylquinoxaline;7-bromo-1H-quinoxalin-2-one;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;1H-quinoxalin-2-one
CID 159723105
tert-butyl 3-[2-[7-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]quinoxalin-2-yl]ethyl]piperidine-1-carboxylate;N-[2-chloro-5-[3-(2-cyclohexylethyl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 160859960
6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 161444011
bis(N-[2-chloro-5-[3-(4-methanidylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide);yttrium
CID 161856110

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 158840474) is N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3ncc(Cl)nc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is IYEDCKURTJIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O2S.C19H11Cl2FN4O2S.C17H19BClFN2O4S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15;20-18-10-23-15-6-1-11(7-16(15)25-18)12-8-17(19(21)24-9-12)26-29(27,28)14-4-2-13(22)3-5-14;1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13/h1-14,31H;1-10,26H;5-10,22H,1-4H3.
What are the key properties of N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 1353.91 g/mol, XLogP of 13.26, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 158840474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).