1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol

C22H25BrN2O3S — CID 69363936

IUPAC1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H25BrN2O3S/c23-19-9-3-5-11-22(19)29(27,28)25-16-18(17-8-2-4-10-20(17)25)21(26)12-15-24-13-6-1-7-14-24/h2-5,8-11,16,21,26H,1,6-7,12-15H2
InChIKeyGZIIQSDXJPSVDN-UHFFFAOYSA-N
MW477.42 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol

1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol (PubChem CID 69363936) has the molecular formula C22H25BrN2O3S and a molecular weight of 477.42 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
PubChem CID69363936
Molecular FormulaC22H25BrN2O3S
Molecular Weight477.42 g/mol
Exact Mass476.08
IUPAC Name1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H25BrN2O3S/c23-19-9-3-5-11-22(19)29(27,28)25-16-18(17-8-2-4-10-20(17)25)21(26)12-15-24-13-6-1-7-14-24/h2-5,8-11,16,21,26H,1,6-7,12-15H2
InChIKeyGZIIQSDXJPSVDN-UHFFFAOYSA-N
XLogP4.55
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol (CID 69363936) is 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol is O=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The InChIKey is GZIIQSDXJPSVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3S/c23-19-9-3-5-11-22(19)29(27,28)25-16-18(17-8-2-4-10-20(17)25)21(26)12-15-24-13-6-1-7-14-24/h2-5,8-11,16,21,26H,1,6-7,12-15H2.
What are the key properties of 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol has a molecular weight of 477.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 69363936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).