2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid

C46H40Cl7F3N8O8S4 — CID 167548008

About 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid

2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid (PubChem CID 167548008) has the molecular formula C46H40Cl7F3N8O8S4 and a molecular weight of 1266.31 g/mol. Its IUPAC name is 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid
• PubChem CID: 167548008
• Molecular Formula: C46H40Cl7F3N8O8S4
• Molecular Weight: 1266.31 g/mol
• Exact Mass: 1261.96
• IUPAC Name: 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.O=C(O)C(F)(F)F.O=S(=O)(Cl)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C22H19Cl3N4O3S2.C16H17ClN4OS.C6H3Cl3O2S.C2HF3O2/c1-28(2)22(30)16-5-3-14(11-18(16)25)21-27-26-20(33-21)13-7-9-29(10-8-13)34(31,32)19-12-15(23)4-6-17(19)24;1-21(2)16(22)12-4-3-11(9-13(12)17)15-20-19-14(23-15)10-5-7-18-8-6-10;7-4-1-2-5(8)6(3-4)12(9,10)11;3-2(4,5)1(6)7/h3-7,11-12H,8-10H2,1-2H3;3-5,9,18H,6-8H2,1-2H3;1-3H;(H,6,7)
• InChIKey: XODRBXQNBFLWSX-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 213.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.31
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid (CID 167548008) is 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.O=C(O)C(F)(F)F.O=S(=O)(Cl)c1cc(Cl)ccc1Cl.

What is the InChIKey of 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The InChIKey is XODRBXQNBFLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O3S2.C16H17ClN4OS.C6H3Cl3O2S.C2HF3O2/c1-28(2)22(30)16-5-3-14(11-18(16)25)21-27-26-20(33-21)13-7-9-29(10-8-13)34(31,32)19-12-15(23)4-6-17(19)24;1-21(2)16(22)12-4-3-11(9-13(12)17)15-20-19-14(23-15)10-5-7-18-8-6-10;7-4-1-2-5(8)6(3-4)12(9,10)11;3-2(4,5)1(6)7/h3-7,11-12H,8-10H2,1-2H3;3-5,9,18H,6-8H2,1-2H3;1-3H;(H,6,7).

What are the key properties of 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid has a molecular weight of 1266.31 g/mol, XLogP of 11.84, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[5-[1-(2,5-dichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2,5-dichlorobenzenesulfonyl chloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167548008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).