1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole

C25H25N3O2S — CID 23546844

IUPAC1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole
SMILESCN1CCN(c2cccc3c2cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c1-26-15-17-27(18-16-26)23-13-8-14-24-22(23)19-25(20-9-4-2-5-10-20)28(24)31(29,30)21-11-6-3-7-12-21/h2-14,19H,15-18H2,1H3
InChIKeyXMKNLQBPEZWZFL-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.30
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole (PubChem CID 23546844) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole
PubChem CID23546844
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole
SMILESCN1CCN(c2cccc3c2cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c1-26-15-17-27(18-16-26)23-13-8-14-24-22(23)19-25(20-9-4-2-5-10-20)28(24)31(29,30)21-11-6-3-7-12-21/h2-14,19H,15-18H2,1H3
InChIKeyXMKNLQBPEZWZFL-UHFFFAOYSA-N
XLogP4.30
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole (CID 23546844) is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole is CN1CCN(c2cccc3c2cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole?
The InChIKey is XMKNLQBPEZWZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-26-15-17-27(18-16-26)23-13-8-14-24-22(23)19-25(20-9-4-2-5-10-20)28(24)31(29,30)21-11-6-3-7-12-21/h2-14,19H,15-18H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole?
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole has a molecular weight of 431.56 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylindole is sourced from PubChem (CID 23546844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).