6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one

C23H24N4O4S2 — CID 46384953

About 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one

6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one (PubChem CID 46384953) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one.

Molecular Properties

• Compound Name: 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one
• PubChem CID: 46384953
• Molecular Formula: C23H24N4O4S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.12
• IUPAC Name: 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one
• SMILES: CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc5[nH]ccc45)CC3)ccc21
• InChI: InChI=1S/C23H24N4O4S2/c1-15(2)27-20-7-6-16(14-21(20)32-23(27)29)33(30,31)26-12-10-25(11-13-26)22(28)18-4-3-5-19-17(18)8-9-24-19/h3-9,14-15,24H,10-13H2,1-2H3
• InChIKey: PCLXMKVOKCDFNL-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one?

The IUPAC name of 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one (CID 46384953) is 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one.

What is the SMILES notation for 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one?

The canonical SMILES for 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one is CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc5[nH]ccc45)CC3)ccc21.

What is the InChIKey of 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one?

The InChIKey is PCLXMKVOKCDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-15(2)27-20-7-6-16(14-21(20)32-23(27)29)33(30,31)26-12-10-25(11-13-26)22(28)18-4-3-5-19-17(18)8-9-24-19/h3-9,14-15,24H,10-13H2,1-2H3.

What are the key properties of 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one?

6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one has a molecular weight of 484.60 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1H-indole-4-carbonyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzothiazol-2-one is sourced from PubChem (CID 46384953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).