2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride

C94H72Br3ClF12N16O13S5 — CID 167696564

About 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride

2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride (PubChem CID 167696564) has the molecular formula C94H72Br3ClF12N16O13S5 and a molecular weight of 2297.18 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride.

Molecular Properties

• Compound Name: 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride
• PubChem CID: 167696564
• Molecular Formula: C94H72Br3ClF12N16O13S5
• Molecular Weight: 2297.18 g/mol
• Exact Mass: 2292.11
• IUPAC Name: 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride
• SMILES: Brc1ccc(Br)nc1.Brc1ccc(SCc2ccccc2)nc1.CN(O)S(=O)(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.COc1ccc(CON(C)S(=O)(=O)c2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)cc1.FC(F)(F)c1ccc(-c2cnc(Nc3ccc(SCc4ccccc4)nc3)o2)cc1.O=S(=O)(Cl)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
• InChI: InChI=1S/C24H21F3N4O5S.C22H16F3N3OS.C16H13F3N4O4S.C15H9ClF3N3O3S.C12H10BrNS.C5H3Br2N/c1-31(35-15-16-3-10-20(34-2)11-4-16)37(32,33)22-12-9-19(13-28-22)30-23-29-14-21(36-23)17-5-7-18(8-6-17)24(25,26)27;23-22(24,25)17-8-6-16(7-9-17)19-13-27-21(29-19)28-18-10-11-20(26-12-18)30-14-15-4-2-1-3-5-15;1-23(24)28(25,26)14-7-6-12(8-20-14)22-15-21-9-13(27-15)10-2-4-11(5-3-10)16(17,18)19;16-26(23,24)13-6-5-11(7-20-13)22-14-21-8-12(25-14)9-1-3-10(4-2-9)15(17,18)19;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;6-4-1-2-5(7)8-3-4/h3-14H,15H2,1-2H3,(H,29,30);1-13H,14H2,(H,27,28);2-9,24H,1H3,(H,21,22);1-8H,(H,21,22);1-8H,9H2;1-3H
• InChIKey: XSXXLAYERHTGLS-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 377.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2297.18
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride?

The IUPAC name of 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride (CID 167696564) is 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride.

What is the SMILES notation for 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride?

The canonical SMILES for 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride is Brc1ccc(Br)nc1.Brc1ccc(SCc2ccccc2)nc1.CN(O)S(=O)(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.COc1ccc(CON(C)S(=O)(=O)c2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)cc1.FC(F)(F)c1ccc(-c2cnc(Nc3ccc(SCc4ccccc4)nc3)o2)cc1.O=S(=O)(Cl)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.

What is the InChIKey of 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride?

The InChIKey is XSXXLAYERHTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O5S.C22H16F3N3OS.C16H13F3N4O4S.C15H9ClF3N3O3S.C12H10BrNS.C5H3Br2N/c1-31(35-15-16-3-10-20(34-2)11-4-16)37(32,33)22-12-9-19(13-28-22)30-23-29-14-21(36-23)17-5-7-18(8-6-17)24(25,26)27;23-22(24,25)17-8-6-16(7-9-17)19-13-27-21(29-19)28-18-10-11-20(26-12-18)30-14-15-4-2-1-3-5-15;1-23(24)28(25,26)14-7-6-12(8-20-14)22-15-21-9-13(27-15)10-2-4-11(5-3-10)16(17,18)19;16-26(23,24)13-6-5-11(7-20-13)22-14-21-8-12(25-14)9-1-3-10(4-2-9)15(17,18)19;13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10;6-4-1-2-5(7)8-3-4/h3-14H,15H2,1-2H3,(H,29,30);1-13H,14H2,(H,27,28);2-9,24H,1H3,(H,21,22);1-8H,(H,21,22);1-8H,9H2;1-3H.

What are the key properties of 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride?

2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride has a molecular weight of 2297.18 g/mol, XLogP of 26.73, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzylsulfanyl-5-bromopyridine;N-(6-benzylsulfanyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;2,5-dibromopyridine;N-hydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfonyl chloride is sourced from PubChem (CID 167696564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).