6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole

C58H68BrCl3N12O4S2 — CID 157253297

About 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole

6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole (PubChem CID 157253297) has the molecular formula C58H68BrCl3N12O4S2 and a molecular weight of 1247.66 g/mol. Its IUPAC name is 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole.

Molecular Properties

• Compound Name: 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole
• PubChem CID: 157253297
• Molecular Formula: C58H68BrCl3N12O4S2
• Molecular Weight: 1247.66 g/mol
• Exact Mass: 1244.32
• IUPAC Name: 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole
• SMILES: CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ccc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cc[nH]c2c1
• InChI: InChI=1S/C18H18ClN3.C14H18ClN3O2S.C13H16BrN3O2S.C13H16ClN3/c19-14-12-17-16(6-7-20-17)18(13-14)22-10-8-21(9-11-22)15-4-2-1-3-5-15;1-21(19,20)17-11-3-6-18(7-4-11)14-9-10(15)8-13-12(14)2-5-16-13;1-20(18,19)17-6-4-16(5-7-17)13-9-10(14)8-12-11(13)2-3-15-12;1-16-4-6-17(7-5-16)13-9-10(14)8-12-11(13)2-3-15-12/h1-7,12-13,20H,8-11H2;2,5,8-9,11,16-17H,3-4,6-7H2,1H3;2-3,8-9,15H,4-7H2,1H3;2-3,8-9,15H,4-7H2,1H3
• InChIKey: AWOWQCPWYPCTIK-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 166.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.66
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole?

The IUPAC name of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole (CID 157253297) is 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole.

What is the SMILES notation for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole?

The canonical SMILES for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole is CN1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ccc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cc[nH]c2c1.

What is the InChIKey of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole?

The InChIKey is AWOWQCPWYPCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3.C14H18ClN3O2S.C13H16BrN3O2S.C13H16ClN3/c19-14-12-17-16(6-7-20-17)18(13-14)22-10-8-21(9-11-22)15-4-2-1-3-5-15;1-21(19,20)17-11-3-6-18(7-4-11)14-9-10(15)8-13-12(14)2-5-16-13;1-20(18,19)17-6-4-16(5-7-17)13-9-10(14)8-12-11(13)2-3-15-12;1-16-4-6-17(7-5-16)13-9-10(14)8-12-11(13)2-3-15-12/h1-7,12-13,20H,8-11H2;2,5,8-9,11,16-17H,3-4,6-7H2,1H3;2-3,8-9,15H,4-7H2,1H3;2-3,8-9,15H,4-7H2,1H3.

What are the key properties of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole?

6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole has a molecular weight of 1247.66 g/mol, XLogP of 11.07, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 157253297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).