5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride

C22H27ClF2N2O2S — CID 11641098

IUPAC5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
SMILESCC(C)N1CCC(N2CCc3cc(S(=O)(=O)c4cc(F)ccc4F)ccc32)CC1.Cl
InChIInChI=1S/C22H26F2N2O2S.ClH/c1-15(2)25-10-8-18(9-11-25)26-12-7-16-13-19(4-6-21(16)26)29(27,28)22-14-17(23)3-5-20(22)24;/h3-6,13-15,18H,7-12H2,1-2H3;1H
InChIKeyGSDXIZDZXPWBBA-UHFFFAOYSA-N
MW456.99 g/mol
LogP4.45
Rot. Bonds4

About 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride

5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride (PubChem CID 11641098) has the molecular formula C22H27ClF2N2O2S and a molecular weight of 456.99 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
PubChem CID11641098
Molecular FormulaC22H27ClF2N2O2S
Molecular Weight456.99 g/mol
Exact Mass456.14
IUPAC Name5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride
SMILESCC(C)N1CCC(N2CCc3cc(S(=O)(=O)c4cc(F)ccc4F)ccc32)CC1.Cl
InChIInChI=1S/C22H26F2N2O2S.ClH/c1-15(2)25-10-8-18(9-11-25)26-12-7-16-13-19(4-6-21(16)26)29(27,28)22-14-17(23)3-5-20(22)24;/h3-6,13-15,18H,7-12H2,1-2H3;1H
InChIKeyGSDXIZDZXPWBBA-UHFFFAOYSA-N
XLogP4.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.99
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride?
The IUPAC name of 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride (CID 11641098) is 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride is CC(C)N1CCC(N2CCc3cc(S(=O)(=O)c4cc(F)ccc4F)ccc32)CC1.Cl.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride?
The InChIKey is GSDXIZDZXPWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2S.ClH/c1-15(2)25-10-8-18(9-11-25)26-12-7-16-13-19(4-6-21(16)26)29(27,28)22-14-17(23)3-5-20(22)24;/h3-6,13-15,18H,7-12H2,1-2H3;1H.
What are the key properties of 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride?
5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride has a molecular weight of 456.99 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfonyl-1-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 11641098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).