1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride

C62H73ClN12O4S2 — CID 158773689

About 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride (PubChem CID 158773689) has the molecular formula C62H73ClN12O4S2 and a molecular weight of 1149.93 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride
• PubChem CID: 158773689
• Molecular Formula: C62H73ClN12O4S2
• Molecular Weight: 1149.93 g/mol
• Exact Mass: 1148.50
• IUPAC Name: 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride
• SMILES: CN1CCN(c2cccc3[nH]ccc23)CC1.CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1.Cl.O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21.c1cc(N2CCNCC2)c2cc[nH]c2c1
• InChI: InChI=1S/C19H21N3O2S.C18H19N3O2S.C13H17N3.C12H15N3.ClH/c1-20-12-14-21(15-13-20)18-8-5-9-19-17(18)10-11-22(19)25(23,24)16-6-3-2-4-7-16;22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20;1-15-7-9-16(10-8-15)13-4-2-3-12-11(13)5-6-14-12;1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15;/h2-11H,12-15H2,1H3;1-9,12,19H,10-11,13-14H2;2-6,14H,7-10H2,1H3;1-5,13-14H,6-9H2;1H
• InChIKey: KJPPHJBAHCMABT-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 153.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.93
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride?

The IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride (CID 158773689) is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride.

What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride?

The canonical SMILES for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride is CN1CCN(c2cccc3[nH]ccc23)CC1.CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1.Cl.O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)cccc21.c1cc(N2CCNCC2)c2cc[nH]c2c1.

What is the InChIKey of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride?

The InChIKey is KJPPHJBAHCMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C18H19N3O2S.C13H17N3.C12H15N3.ClH/c1-20-12-14-21(15-13-20)18-8-5-9-19-17(18)10-11-22(19)25(23,24)16-6-3-2-4-7-16;22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20;1-15-7-9-16(10-8-15)13-4-2-3-12-11(13)5-6-14-12;1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15;/h2-11H,12-15H2,1H3;1-9,12,19H,10-11,13-14H2;2-6,14H,7-10H2,1H3;1-5,13-14H,6-9H2;1H.

What are the key properties of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride?

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride has a molecular weight of 1149.93 g/mol, XLogP of 8.84, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole;1-(benzenesulfonyl)-4-piperazin-1-ylindole;4-(4-methylpiperazin-1-yl)-1H-indole;4-piperazin-1-yl-1H-indole;hydrochloride is sourced from PubChem (CID 158773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).