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

C45H41Cl6N9O6S4 — CID 167594667

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

2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride (PubChem CID 167594667) has the molecular formula C45H41Cl6N9O6S4 and a molecular weight of 1144.87 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride
• PubChem CID: 167594667
• Molecular Formula: C45H41Cl6N9O6S4
• Molecular Weight: 1144.87 g/mol
• Exact Mass: 1141.02
• IUPAC Name: 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride
• SMILES: CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccc(Cl)cc1Cl.[C-]#[N+]c1ccccc1S(=O)(=O)N1CC=C(c2nnc(-c3ccc(C(=O)N(C)C)c(Cl)c3)s2)CC1
• InChI: InChI=1S/C23H20ClN5O3S2.C16H17ClN4OS.C6H3Cl3O2S.ClH/c1-25-19-6-4-5-7-20(19)34(31,32)29-12-10-15(11-13-29)21-26-27-22(33-21)16-8-9-17(18(24)14-16)23(30)28(2)3;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;/h4-10,14H,11-13H2,2-3H3;3-5,9,18H,6-8H2,1-2H3;1-3H;1H
• InChIKey: YOSFHZZIHPQWOQ-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 180.09 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	1144.87
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride (CID 167594667) is 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride.

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

The canonical SMILES for 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride is CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccc(Cl)cc1Cl.[C-]#[N+]c1ccccc1S(=O)(=O)N1CC=C(c2nnc(-c3ccc(C(=O)N(C)C)c(Cl)c3)s2)CC1.

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

The InChIKey is YOSFHZZIHPQWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S2.C16H17ClN4OS.C6H3Cl3O2S.ClH/c1-25-19-6-4-5-7-20(19)34(31,32)29-12-10-15(11-13-29)21-26-27-22(33-21)16-8-9-17(18(24)14-16)23(30)28(2)3;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;/h4-10,14H,11-13H2,2-3H3;3-5,9,18H,6-8H2,1-2H3;1-3H;1H.

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

2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride has a molecular weight of 1144.87 g/mol, XLogP of 10.87, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;2-chloro-4-[5-[1-(2-isocyanophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2,4-dichlorobenzenesulfonyl chloride;hydrochloride is sourced from PubChem (CID 167594667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).