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

C51H45BBrCl3F3N9O9S3 — CID 157495336

IUPACN-(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
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H19ClFN5O3S.C17H19BClFN2O4S.C11H7BrClFN2O2S/c24-23-21(29-34(31,32)18-4-2-17(25)3-5-18)12-16(13-27-23)15-1-6-19-20(11-15)28-22(14-26-19)30-7-9-33-10-8-30;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;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6,11-14,29H,7-10H2;5-10,22H,1-4H3;1-6,16H
InChIKeyBXTNRJBCLRDMDN-UHFFFAOYSA-N
MW1278.24 g/mol
LogP10.53
Rot. Bonds12

About 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

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 (PubChem CID 157495336) has the molecular formula C51H45BBrCl3F3N9O9S3 and a molecular weight of 1278.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157495336
Molecular FormulaC51H45BBrCl3F3N9O9S3
Molecular Weight1278.24 g/mol
Exact Mass1275.08
IUPAC NameN-(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
SMILESCC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H19ClFN5O3S.C17H19BClFN2O4S.C11H7BrClFN2O2S/c24-23-21(29-34(31,32)18-4-2-17(25)3-5-18)12-16(13-27-23)15-1-6-19-20(11-15)28-22(14-26-19)30-7-9-33-10-8-30;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;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6,11-14,29H,7-10H2;5-10,22H,1-4H3;1-6,16H
InChIKeyBXTNRJBCLRDMDN-UHFFFAOYSA-N
XLogP10.53
TPSA233.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.24
LogP ≤ 510.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608116
N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 58229532
N-[2-chloro-5-[3-[4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 156072888
N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 156621456
N-[2-chloro-5-(2-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53361010
CID 157704613
CID 157704613
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
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
N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 158955186
N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-morpholin-4-ylethanesulfonamide;6-chloropyrido[3,2-d]pyrimidin-4-amine;N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide
CID 159715133
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C.O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is BXTNRJBCLRDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O3S.C17H19BClFN2O4S.C11H7BrClFN2O2S/c24-23-21(29-34(31,32)18-4-2-17(25)3-5-18)12-16(13-27-23)15-1-6-19-20(11-15)28-22(14-26-19)30-7-9-33-10-8-30;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;12-7-5-10(11(13)15-6-7)16-19(17,18)9-3-1-8(14)2-4-9/h1-6,11-14,29H,7-10H2;5-10,22H,1-4H3;1-6,16H.
What are the key properties of 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?
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 has a molecular weight of 1278.24 g/mol, XLogP of 10.53, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157495336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).