N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride

C51H37BCl3F11N8O6S2 — CID 163919488

IUPACN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride
SMILESC=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.C=Cc1ccc(F)cc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C18H12ClF2N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h2-10H,1H2,(H,23,24);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQZEDKYPQGZUGOW-UHFFFAOYSA-N
MW1248.19 g/mol
LogP12.28
Rot. Bonds10

About N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride

N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride (PubChem CID 163919488) has the molecular formula C51H37BCl3F11N8O6S2 and a molecular weight of 1248.19 g/mol. Its IUPAC name is N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound NameN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride
PubChem CID163919488
Molecular FormulaC51H37BCl3F11N8O6S2
Molecular Weight1248.19 g/mol
Exact Mass1246.13
IUPAC NameN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride
SMILESC=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.C=Cc1ccc(F)cc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C18H12ClF2N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h2-10H,1H2,(H,23,24);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQZEDKYPQGZUGOW-UHFFFAOYSA-N
XLogP12.28
TPSA237.26 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.19
LogP ≤ 512.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134306507
6-amino-N-[5-chloro-6-[2-(trifluoromethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134308840
6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]pyridin-2-yl]pyridine-2-sulfonamide
CID 134328861
6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
CID 159101446
6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;2-chloro-1-oxido-3-(trifluoromethyl)pyridin-1-ium;2-chloro-3-(trifluoromethyl)pyridine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;2-(2-methylphenyl)-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine;phosphoryl trichloride
CID 160082004
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-propan-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-propan-2-ylphenyl)boronic acid;6-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 160096552
carbanide;6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;palladium
CID 160648762
6-chloro-2-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyridine;2-chloro-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-(5-fluoro-2-methylphenyl)-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;phosphoryl trichloride
CID 161896089
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-fluoro-3-pyridinyl)boronic acid;6-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 163454810
6-bromo-N-[6-(2-ethenylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-bromopyridine-2-sulfonyl chloride;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenylphenyl)boronic acid;6-(2-ethenylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 163917415
N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
CID 163919489
N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
CID 164745307

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride (CID 163919488) is N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride is C=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.C=Cc1ccc(F)cc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.
What is the InChIKey of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride?
The InChIKey is QZEDKYPQGZUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h2-10H,1H2,(H,23,24);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H.
What are the key properties of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride?
N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride has a molecular weight of 1248.19 g/mol, XLogP of 12.28, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 163919488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).