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

C20H22N2O3S — CID 31289185

IUPAC2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-15-12-16-8-2-4-10-18(16)22)17-9-3-5-11-19(17)26(24,25)21-13-6-1-7-14-21/h2-5,8-11H,1,6-7,12-15H2
InChIKeyUSQABPHCYFOPBL-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.06
Rot. Bonds3

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

2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 31289185) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID31289185
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2O3S/c23-20(22-15-12-16-8-2-4-10-18(16)22)17-9-3-5-11-19(17)26(24,25)21-13-6-1-7-14-21/h2-5,8-11H,1,6-7,12-15H2
InChIKeyUSQABPHCYFOPBL-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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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
1-(2,3-dihydroindol-1-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 4818752
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5221069

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone (CID 31289185) is 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is USQABPHCYFOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(22-15-12-16-8-2-4-10-18(16)22)17-9-3-5-11-19(17)26(24,25)21-13-6-1-7-14-21/h2-5,8-11H,1,6-7,12-15H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone?
2,3-dihydroindol-1-yl-(2-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-(2-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 31289185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).