1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol

C22H24Br2N2O3S — CID 69363497

IUPAC1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C22H24Br2N2O3S/c23-16-8-9-20-17(14-16)18(21(27)10-13-25-11-4-1-5-12-25)15-26(20)30(28,29)22-7-3-2-6-19(22)24/h2-3,6-9,14-15,21,27H,1,4-5,10-13H2
InChIKeyCHJSKVNBQVSNHU-UHFFFAOYSA-N
MW556.32 g/mol
LogP5.31
Rot. Bonds6

About 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol

1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol (PubChem CID 69363497) has the molecular formula C22H24Br2N2O3S and a molecular weight of 556.32 g/mol. Its IUPAC name is 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
PubChem CID69363497
Molecular FormulaC22H24Br2N2O3S
Molecular Weight556.32 g/mol
Exact Mass553.99
IUPAC Name1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol
SMILESO=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C22H24Br2N2O3S/c23-16-8-9-20-17(14-16)18(21(27)10-13-25-11-4-1-5-12-25)15-26(20)30(28,29)22-7-3-2-6-19(22)24/h2-3,6-9,14-15,21,27H,1,4-5,10-13H2
InChIKeyCHJSKVNBQVSNHU-UHFFFAOYSA-N
XLogP5.31
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.32
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol (CID 69363497) is 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol is O=S(=O)(c1ccccc1Br)n1cc(C(O)CCN2CCCCC2)c2cc(Br)ccc21.
What is the InChIKey of 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
The InChIKey is CHJSKVNBQVSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Br2N2O3S/c23-16-8-9-20-17(14-16)18(21(27)10-13-25-11-4-1-5-12-25)15-26(20)30(28,29)22-7-3-2-6-19(22)24/h2-3,6-9,14-15,21,27H,1,4-5,10-13H2.
What are the key properties of 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol?
1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol has a molecular weight of 556.32 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-1-(2-bromophenyl)sulfonylindol-3-yl]-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 69363497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).