4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide

C25H25F2N3O2S — CID 18427426

IUPAC4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2
InChIKeyCBYWQASWWRTMCN-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.80
Rot. Bonds5

About 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide

4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide (PubChem CID 18427426) has the molecular formula C25H25F2N3O2S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
PubChem CID18427426
Molecular FormulaC25H25F2N3O2S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC Name4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2
InChIKeyCBYWQASWWRTMCN-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide 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-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 174391222
N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
CID 174406027
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
CID 42276702
N-[3-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
CID 42276700
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
N-(9H-fluoren-3-yl)-4-fluorobenzenesulfonamide
CID 25331334
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
N-(9H-fluoren-2-yl)-4-fluorobenzenesulfonamide
CID 3457816
4-fluoro-N-[3-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]benzenesulfonamide
CID 45247645

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide (CID 18427426) is 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The InChIKey is CBYWQASWWRTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2.
What are the key properties of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide has a molecular weight of 469.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide is sourced from PubChem (CID 18427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).