4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

C25H34Cl2N4O3S2 — CID 44926296

About 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (PubChem CID 44926296) has the molecular formula C25H34Cl2N4O3S2 and a molecular weight of 573.61 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
• PubChem CID: 44926296
• Molecular Formula: C25H34Cl2N4O3S2
• Molecular Weight: 573.61 g/mol
• Exact Mass: 572.14
• IUPAC Name: 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
• SMILES: CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CCN(CC)CC)c2nc3c(Cl)cccc3s2)cc1.Cl
• InChI: InChI=1S/C25H33ClN4O3S2.ClH/c1-5-8-16-28(4)35(32,33)20-14-12-19(13-15-20)24(31)30(18-17-29(6-2)7-3)25-27-23-21(26)10-9-11-22(23)34-25;/h9-15H,5-8,16-18H2,1-4H3;1H
• InChIKey: FJIRLEVIOVYCGC-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.61
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?

The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (CID 44926296) is 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.

What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?

The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CCN(CC)CC)c2nc3c(Cl)cccc3s2)cc1.Cl.

What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?

The InChIKey is FJIRLEVIOVYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S2.ClH/c1-5-8-16-28(4)35(32,33)20-14-12-19(13-15-20)24(31)30(18-17-29(6-2)7-3)25-27-23-21(26)10-9-11-22(23)34-25;/h9-15H,5-8,16-18H2,1-4H3;1H.

What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?

4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 573.61 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(methyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 44926296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).