1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole

C19H21N3O2S — CID 10108884

IUPAC1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2S/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/h2-11H,12-15H2,1H3
InChIKeyBJISURBWZYFXNY-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.63
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole (PubChem CID 10108884) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
PubChem CID10108884
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2S/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/h2-11H,12-15H2,1H3
InChIKeyBJISURBWZYFXNY-UHFFFAOYSA-N
XLogP2.63
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.63
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)indole?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole (CID 10108884) is 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole is CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole?
The InChIKey is BJISURBWZYFXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/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/h2-11H,12-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole?
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole has a molecular weight of 355.46 g/mol, XLogP of 2.63, 3 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)indole is sourced from PubChem (CID 10108884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).