2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride

C44H40Cl8N8O6S4 — CID 167605714

About 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride

2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride (PubChem CID 167605714) has the molecular formula C44H40Cl8N8O6S4 and a molecular weight of 1188.75 g/mol. Its IUPAC name is 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride
• PubChem CID: 167605714
• Molecular Formula: C44H40Cl8N8O6S4
• Molecular Weight: 1188.75 g/mol
• Exact Mass: 1183.95
• IUPAC Name: 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride
• SMILES: CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H19Cl3N4O3S2.C16H17ClN4OS.C6H3Cl3O2S.ClH/c1-28(2)22(30)16-5-3-14(11-17(16)24)21-27-26-20(33-21)13-7-9-29(10-8-13)34(31,32)19-6-4-15(23)12-18(19)25;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;7-4-1-2-6(5(8)3-4)12(9,10)11;/h3-7,11-12H,8-10H2,1-2H3;3-5,9,18H,6-8H2,1-2H3;1-3H;1H
• InChIKey: KHYDDQDORRCBTD-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 175.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.75
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride?

The IUPAC name of 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride (CID 167605714) is 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride.

What is the SMILES notation for 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride?

The canonical SMILES for 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride is CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride?

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

What are the key properties of 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride?

2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride has a molecular weight of 1188.75 g/mol, XLogP of 11.62, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[5-[1-(2,4-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;2,4-dichlorobenzenesulfonyl chloride;hydrochloride is sourced from PubChem (CID 167605714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).