4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

C26H26Cl2FN5O3S2 — CID 121045125

About 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 121045125) has the molecular formula C26H26Cl2FN5O3S2 and a molecular weight of 610.56 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• PubChem CID: 121045125
• Molecular Formula: C26H26Cl2FN5O3S2
• Molecular Weight: 610.56 g/mol
• Exact Mass: 609.08
• IUPAC Name: 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• SMILES: Cl.O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H25ClFN5O3S2.ClH/c27-19-3-8-22(9-4-19)38(35,36)31-21-6-1-18(2-7-21)25(34)29-11-12-32-13-15-33(16-14-32)26-30-23-10-5-20(28)17-24(23)37-26;/h1-10,17,31H,11-16H2,(H,29,34);1H
• InChIKey: GIQUFWQORBBRGO-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.56
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?

The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 121045125) is 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?

The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is Cl.O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.

What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?

The InChIKey is GIQUFWQORBBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O3S2.ClH/c27-19-3-8-22(9-4-19)38(35,36)31-21-6-1-18(2-7-21)25(34)29-11-12-32-13-15-33(16-14-32)26-30-23-10-5-20(28)17-24(23)37-26;/h1-10,17,31H,11-16H2,(H,29,34);1H.

What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?

4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 610.56 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 121045125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).