2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C23H29Cl2N3O4S2 — CID 44928522

About 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44928522) has the molecular formula C23H29Cl2N3O4S2 and a molecular weight of 546.54 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44928522
• Molecular Formula: C23H29Cl2N3O4S2
• Molecular Weight: 546.54 g/mol
• Exact Mass: 545.10
• IUPAC Name: 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(OC)ccc(C)c2s1.Cl
• InChI: InChI=1S/C23H28ClN3O4S2.ClH/c1-5-26(6-2)13-14-27(20(28)15-33(29,30)18-10-8-17(24)9-11-18)23-25-21-19(31-4)12-7-16(3)22(21)32-23;/h7-12H,5-6,13-15H2,1-4H3;1H
• InChIKey: USWYJEXHRMBGJO-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 79.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.54
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44928522) is 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CCN(CC)CCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(OC)ccc(C)c2s1.Cl.

What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The InChIKey is USWYJEXHRMBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S2.ClH/c1-5-26(6-2)13-14-27(20(28)15-33(29,30)18-10-8-17(24)9-11-18)23-25-21-19(31-4)12-7-16(3)22(21)32-23;/h7-12H,5-6,13-15H2,1-4H3;1H.

What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 546.54 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44928522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).