azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

C23H28N2O3S — CID 55332107

IUPACazocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-18-16-19-10-5-6-13-22(19)25(18)29(27,28)21-12-9-11-20(17-21)23(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,17-18H,2-4,7-8,14-16H2,1H3
InChIKeyFMRRWIFKGUPAJS-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.23
Rot. Bonds3

About azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (PubChem CID 55332107) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
PubChem CID55332107
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Nameazocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-18-16-19-10-5-6-13-22(19)25(18)29(27,28)21-12-9-11-20(17-21)23(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,17-18H,2-4,7-8,14-16H2,1H3
InChIKeyFMRRWIFKGUPAJS-UHFFFAOYSA-N
XLogP4.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]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

[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 46625677
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 154832079
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2336693
2-[2-[4-[3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 98388988
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 60581739
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[2-(cyclooctylamino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2551237

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?
The IUPAC name of azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (CID 55332107) is azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.
What is the SMILES notation for azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?
The canonical SMILES for azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1.
What is the InChIKey of azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?
The InChIKey is FMRRWIFKGUPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-18-16-19-10-5-6-13-22(19)25(18)29(27,28)21-12-9-11-20(17-21)23(26)24-14-7-3-2-4-8-15-24/h5-6,9-13,17-18H,2-4,7-8,14-16H2,1H3.
What are the key properties of azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone has a molecular weight of 412.56 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is sourced from PubChem (CID 55332107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).