2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone

C20H21FN2O3S — CID 26681076

IUPAC2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O3S/c21-17-9-8-16(14-19(17)27(25,26)22-11-4-1-5-12-22)20(24)23-13-10-15-6-2-3-7-18(15)23/h2-3,6-9,14H,1,4-5,10-13H2
InChIKeyXQTVABAAWOXEQB-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.20
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone

2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 26681076) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID26681076
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H21FN2O3S/c21-17-9-8-16(14-19(17)27(25,26)22-11-4-1-5-12-22)20(24)23-13-10-15-6-2-3-7-18(15)23/h2-3,6-9,14H,1,4-5,10-13H2
InChIKeyXQTVABAAWOXEQB-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 3620795
(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 51147460
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone (CID 26681076) is 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is XQTVABAAWOXEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-17-9-8-16(14-19(17)27(25,26)22-11-4-1-5-12-22)20(24)23-13-10-15-6-2-3-7-18(15)23/h2-3,6-9,14H,1,4-5,10-13H2.
What are the key properties of 2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone?
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 388.46 g/mol, XLogP of 3.20, 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-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 26681076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).