[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone

C20H22N2O3S — CID 69427955

IUPAC[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)C2CNc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C20H22N2O3S/c23-20(22-12-4-1-5-13-22)15-8-10-16(11-9-15)26(24,25)19-14-21-18-7-3-2-6-17(18)19/h2-3,6-11,19,21H,1,4-5,12-14H2
InChIKeyBOHXNJQSGFSOLG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.25
Rot. Bonds3

About [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone

[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 69427955) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone
PubChem CID69427955
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)C2CNc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C20H22N2O3S/c23-20(22-12-4-1-5-13-22)15-8-10-16(11-9-15)26(24,25)19-14-21-18-7-3-2-6-17(18)19/h2-3,6-11,19,21H,1,4-5,12-14H2
InChIKeyBOHXNJQSGFSOLG-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone 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

[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 69428960
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
[4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 42362468
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
CID 164550223
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone (CID 69427955) is [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(S(=O)(=O)C2CNc3ccccc32)cc1)N1CCCCC1.
What is the InChIKey of [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is BOHXNJQSGFSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(22-12-4-1-5-13-22)15-8-10-16(11-9-15)26(24,25)19-14-21-18-7-3-2-6-17(18)19/h2-3,6-11,19,21H,1,4-5,12-14H2.
What are the key properties of [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone?
[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 370.47 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 69427955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).