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

C95H71BCl2F24N14O12S4 — CID 165054575

IUPAC6-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
SMILESC=Cc1ccc(F)cc1-c1nc(N(COC)S(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.COCN(c1ccc(C(F)(F)F)c(-c2cc(F)ccc2C2CC2)n1)S(=O)(=O)c1cccc(F)n1.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C22H18F5N3O3S.C21H16F5N3O3S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-33-12-30(34(31,32)20-4-2-3-18(24)28-20)19-10-9-17(22(25,26)27)21(29-19)16-11-14(23)7-8-15(16)13-5-6-13;1-3-13-7-8-14(22)11-15(13)20-16(21(24,25)26)9-10-18(28-20)29(12-32-2)33(30,31)19-6-4-5-17(23)27-19;1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;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/h2-4,7-11,13H,5-6,12H2,1H3;3-11H,1,12H2,2H3;2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQEXSLUGICUPYDR-UHFFFAOYSA-N
MW2266.64 g/mol
LogP22.65
Rot. Bonds24

About 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

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 (PubChem CID 165054575) has the molecular formula C95H71BCl2F24N14O12S4 and a molecular weight of 2266.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID165054575
Molecular FormulaC95H71BCl2F24N14O12S4
Molecular Weight2266.64 g/mol
Exact Mass2264.33
IUPAC Name6-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
SMILESC=Cc1ccc(F)cc1-c1nc(N(COC)S(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.COCN(c1ccc(C(F)(F)F)c(-c2cc(F)ccc2C2CC2)n1)S(=O)(=O)c1cccc(F)n1.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C22H18F5N3O3S.C21H16F5N3O3S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-33-12-30(34(31,32)20-4-2-3-18(24)28-20)19-10-9-17(22(25,26)27)21(29-19)16-11-14(23)7-8-15(16)13-5-6-13;1-3-13-7-8-14(22)11-15(13)20-16(21(24,25)26)9-10-18(28-20)29(12-32-2)33(30,31)19-6-4-5-17(23)27-19;1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;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/h2-4,7-11,13H,5-6,12H2,1H3;3-11H,1,12H2,2H3;2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyQEXSLUGICUPYDR-UHFFFAOYSA-N
XLogP22.65
TPSA382.04 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.64
LogP ≤ 522.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(F)cc1-c1nc(N(COC)S(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.COCN(c1ccc(C(F)(F)F)c(-c2cc(F)ccc2C2CC2)n1)S(=O)(=O)c1cccc(F)n1.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.
What is the InChIKey of 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?
The InChIKey is QEXSLUGICUPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N3O3S.C21H16F5N3O3S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c1-33-12-30(34(31,32)20-4-2-3-18(24)28-20)19-10-9-17(22(25,26)27)21(29-19)16-11-14(23)7-8-15(16)13-5-6-13;1-3-13-7-8-14(22)11-15(13)20-16(21(24,25)26)9-10-18(28-20)29(12-32-2)33(30,31)19-6-4-5-17(23)27-19;1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;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/h2-4,7-11,13H,5-6,12H2,1H3;3-11H,1,12H2,2H3;2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H.
What are the key properties of 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?
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 has a molecular weight of 2266.64 g/mol, XLogP of 22.65, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165054575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).