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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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 2440433
2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749996
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837

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).