1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide

C27H33N5O2S2 — CID 118935079

About 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide

1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide (PubChem CID 118935079) has the molecular formula C27H33N5O2S2 and a molecular weight of 523.73 g/mol. Its IUPAC name is 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide
• PubChem CID: 118935079
• Molecular Formula: C27H33N5O2S2
• Molecular Weight: 523.73 g/mol
• Exact Mass: 523.21
• IUPAC Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide
• SMILES: NS(=O)(=O)c1cn(C2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)c2ccccc12
• InChI: InChI=1S/C27H33N5O2S2/c28-36(33,34)26-19-32(24-7-3-1-5-22(24)26)21-11-9-20(10-12-21)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-29-27/h1-8,19-21H,9-18H2,(H2,28,33,34)
• InChIKey: BIEQWKPQKIPARJ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 84.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.73
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide?

The IUPAC name of 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide (CID 118935079) is 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide.

What is the SMILES notation for 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide?

The canonical SMILES for 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide is NS(=O)(=O)c1cn(C2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)c2ccccc12.

What is the InChIKey of 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide?

The InChIKey is BIEQWKPQKIPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2S2/c28-36(33,34)26-19-32(24-7-3-1-5-22(24)26)21-11-9-20(10-12-21)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-29-27/h1-8,19-21H,9-18H2,(H2,28,33,34).

What are the key properties of 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide?

1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide has a molecular weight of 523.73 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]indole-3-sulfonamide is sourced from PubChem (CID 118935079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).