2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone

C21H24N2O3S — CID 109061546

IUPAC2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)C1
InChIInChI=1S/C21H24N2O3S/c1-16-5-4-13-22(15-16)27(25,26)19-10-8-18(9-11-19)21(24)23-14-12-17-6-2-3-7-20(17)23/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyGROAHRDLABWAEY-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone

2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 109061546) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID109061546
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)C1
InChIInChI=1S/C21H24N2O3S/c1-16-5-4-13-22(15-16)27(25,26)19-10-8-18(9-11-19)21(24)23-14-12-17-6-2-3-7-20(17)23/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyGROAHRDLABWAEY-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.31
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
3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2128055
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
2,3-dihydroindol-1-yl-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343726
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 109061546) is 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)C1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is GROAHRDLABWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-5-4-13-22(15-16)27(25,26)19-10-8-18(9-11-19)21(24)23-14-12-17-6-2-3-7-20(17)23/h2-3,6-11,16H,4-5,12-15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 384.50 g/mol, XLogP of 3.31, 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-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 109061546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).