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

C27H30ClN5O3S2 — CID 121040780

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

2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 121040780) has the molecular formula C27H30ClN5O3S2 and a molecular weight of 572.16 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• PubChem CID: 121040780
• Molecular Formula: C27H30ClN5O3S2
• Molecular Weight: 572.16 g/mol
• Exact Mass: 571.15
• IUPAC Name: 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
• SMILES: Cc1ccc2nc(N3CCN(CCNC(=O)c4ccccc4NS(=O)(=O)c4ccccc4)CC3)sc2c1.Cl
• InChI: InChI=1S/C27H29N5O3S2.ClH/c1-20-11-12-24-25(19-20)36-27(29-24)32-17-15-31(16-18-32)14-13-28-26(33)22-9-5-6-10-23(22)30-37(34,35)21-7-3-2-4-8-21;/h2-12,19,30H,13-18H2,1H3,(H,28,33);1H
• InChIKey: UNFAJCQYYSYJMP-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.16
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 121040780) is 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

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

The canonical SMILES for 2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is Cc1ccc2nc(N3CCN(CCNC(=O)c4ccccc4NS(=O)(=O)c4ccccc4)CC3)sc2c1.Cl.

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

The InChIKey is UNFAJCQYYSYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S2.ClH/c1-20-11-12-24-25(19-20)36-27(29-24)32-17-15-31(16-18-32)14-13-28-26(33)22-9-5-6-10-23(22)30-37(34,35)21-7-3-2-4-8-21;/h2-12,19,30H,13-18H2,1H3,(H,28,33);1H.

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

2-(benzenesulfonamido)-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 572.16 g/mol, XLogP of 4.38, 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-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 121040780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).