2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

C26H26ClF2N5O3S2 — CID 121040808

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

2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 121040808) has the molecular formula C26H26ClF2N5O3S2 and a molecular weight of 594.11 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• PubChem CID: 121040808
• Molecular Formula: C26H26ClF2N5O3S2
• Molecular Weight: 594.11 g/mol
• Exact Mass: 593.11
• IUPAC Name: 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• SMILES: Cl.O=C(NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1)c1ccccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C26H25F2N5O3S2.ClH/c27-18-16-21(28)24-23(17-18)37-26(30-24)33-14-12-32(13-15-33)11-10-29-25(34)20-8-4-5-9-22(20)31-38(35,36)19-6-2-1-3-7-19;/h1-9,16-17,31H,10-15H2,(H,29,34);1H
• InChIKey: STQSCARUXDUQAE-UHFFFAOYSA-N
• XLogP: 4.35
• 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	594.11
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 121040808) is 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

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

The canonical SMILES for 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is Cl.O=C(NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1)c1ccccc1NS(=O)(=O)c1ccccc1.

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

The InChIKey is STQSCARUXDUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3S2.ClH/c27-18-16-21(28)24-23(17-18)37-26(30-24)33-14-12-32(13-15-33)11-10-29-25(34)20-8-4-5-9-22(20)31-38(35,36)19-6-2-1-3-7-19;/h1-9,16-17,31H,10-15H2,(H,29,34);1H.

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

2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 594.11 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonamido)-N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 121040808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).