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

C52H40BBr2Cl2F9N8O6S2 — CID 163917415

IUPAC6-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
SMILESC=Cc1ccccc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(Br)n2)ccc1C(F)(F)F.C=Cc1ccccc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(Br)n1
InChIInChI=1S/C19H13BrF3N3O2S.C14H11F3N2.C8H9BO2.C6H4ClF3N2.C5H3BrClNO2S/c1-2-12-6-3-4-7-13(12)18-14(19(21,22)23)10-11-16(25-18)26-29(27,28)17-9-5-8-15(20)24-17;1-2-9-5-3-4-6-10(9)13-11(14(15,16)17)7-8-12(18)19-13;1-2-7-5-3-4-6-8(7)9(10)11;7-5-3(6(8,9)10)1-2-4(11)12-5;6-4-2-1-3-5(8-4)11(7,9)10/h2-11H,1H2,(H,25,26);2-8H,1H2,(H2,18,19);2-6,10-11H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQXLRVMGFSURJIN-UHFFFAOYSA-N
MW1349.58 g/mol
LogP13.48
Rot. Bonds10

About 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

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 (PubChem CID 163917415) has the molecular formula C52H40BBr2Cl2F9N8O6S2 and a molecular weight of 1349.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163917415
Molecular FormulaC52H40BBr2Cl2F9N8O6S2
Molecular Weight1349.58 g/mol
Exact Mass1346.02
IUPAC Name6-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
SMILESC=Cc1ccccc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(Br)n2)ccc1C(F)(F)F.C=Cc1ccccc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(Br)n1
InChIInChI=1S/C19H13BrF3N3O2S.C14H11F3N2.C8H9BO2.C6H4ClF3N2.C5H3BrClNO2S/c1-2-12-6-3-4-7-13(12)18-14(19(21,22)23)10-11-16(25-18)26-29(27,28)17-9-5-8-15(20)24-17;1-2-9-5-3-4-6-10(9)13-11(14(15,16)17)7-8-12(18)19-13;1-2-7-5-3-4-6-8(7)9(10)11;7-5-3(6(8,9)10)1-2-4(11)12-5;6-4-2-1-3-5(8-4)11(7,9)10/h2-11H,1H2,(H,25,26);2-8H,1H2,(H2,18,19);2-6,10-11H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQXLRVMGFSURJIN-UHFFFAOYSA-N
XLogP13.48
TPSA237.26 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.58
LogP ≤ 513.48
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'}

Analyze 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 with MolForge

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Related Compounds

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-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-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
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
6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
CID 165040945
6-chloro-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-cyclopropyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoro-N-(methoxymethyl)pyridine-2-sulfonamide;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoro-N-(methoxymethyl)pyridine-2-sulfonamide;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
CID 165054575
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-phenylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-phenylphenyl)boronic acid;6-(2-phenylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 165072102
6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 165073170
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 165096070
3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 165107430
6-bromo-5-chloropyridin-2-amine;6-bromopyridin-2-amine;5-chloro-6-(5-fluoro-2-methylphenyl)pyridin-2-amine;N-[5-chloro-6-(5-fluoro-2-methylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride
CID 159502664

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccccc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(Br)n2)ccc1C(F)(F)F.C=Cc1ccccc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(Br)n1.
What is the InChIKey of 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?
The InChIKey is QXLRVMGFSURJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N3O2S.C14H11F3N2.C8H9BO2.C6H4ClF3N2.C5H3BrClNO2S/c1-2-12-6-3-4-7-13(12)18-14(19(21,22)23)10-11-16(25-18)26-29(27,28)17-9-5-8-15(20)24-17;1-2-9-5-3-4-6-10(9)13-11(14(15,16)17)7-8-12(18)19-13;1-2-7-5-3-4-6-8(7)9(10)11;7-5-3(6(8,9)10)1-2-4(11)12-5;6-4-2-1-3-5(8-4)11(7,9)10/h2-11H,1H2,(H,25,26);2-8H,1H2,(H2,18,19);2-6,10-11H,1H2;1-2H,(H2,11,12);1-3H.
What are the key properties of 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?
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 has a molecular weight of 1349.58 g/mol, XLogP of 13.48, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163917415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).