3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole

C21H22F2N2O3S — CID 133298637

IUPAC3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(c4ccccc4S(=O)(=O)C(F)F)CC3)c2c1
InChIInChI=1S/C21H22F2N2O3S/c1-28-15-6-7-18-16(12-15)17(13-24-18)14-8-10-25(11-9-14)19-4-2-3-5-20(19)29(26,27)21(22)23/h2-7,12-14,21,24H,8-11H2,1H3
InChIKeyGNNCGDPGESVEII-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.56
Rot. Bonds5

About 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole

3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole (PubChem CID 133298637) has the molecular formula C21H22F2N2O3S and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
PubChem CID133298637
Molecular FormulaC21H22F2N2O3S
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC Name3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCN(c4ccccc4S(=O)(=O)C(F)F)CC3)c2c1
InChIInChI=1S/C21H22F2N2O3S/c1-28-15-6-7-18-16(12-15)17(13-24-18)14-8-10-25(11-9-14)19-4-2-3-5-20(19)29(26,27)21(22)23/h2-7,12-14,21,24H,8-11H2,1H3
InChIKeyGNNCGDPGESVEII-UHFFFAOYSA-N
XLogP4.56
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole 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

5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087583
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
3-[1-[3-(4-cyclobutylpiperazin-1-yl)-4-methoxyphenyl]sulfonylpiperidin-4-yl]-5-methoxy-1H-indole
CID 163880260
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468602
2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165845

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole?
The IUPAC name of 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole (CID 133298637) is 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C3CCN(c4ccccc4S(=O)(=O)C(F)F)CC3)c2c1.
What is the InChIKey of 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole?
The InChIKey is GNNCGDPGESVEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3S/c1-28-15-6-7-18-16(12-15)17(13-24-18)14-8-10-25(11-9-14)19-4-2-3-5-20(19)29(26,27)21(22)23/h2-7,12-14,21,24H,8-11H2,1H3.
What are the key properties of 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole?
3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole has a molecular weight of 420.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 133298637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).