2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone

C20H22N2O3S — CID 1262141

IUPAC2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-14-11-16-7-2-3-10-19(16)22)17-8-6-9-18(15-17)26(24,25)21-12-4-1-5-13-21/h2-3,6-10,15H,1,4-5,11-14H2
InChIKeyYJQCITOWRRQZDZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.06
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone

2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 1262141) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID1262141
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-14-11-16-7-2-3-10-19(16)22)17-8-6-9-18(15-17)26(24,25)21-12-4-1-5-13-21/h2-3,6-10,15H,1,4-5,11-14H2
InChIKeyYJQCITOWRRQZDZ-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone (CID 1262141) is 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is YJQCITOWRRQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(22-14-11-16-7-2-3-10-19(16)22)17-8-6-9-18(15-17)26(24,25)21-12-4-1-5-13-21/h2-3,6-10,15H,1,4-5,11-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone?
2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 370.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).