N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C22H20F3N3O2S — CID 99875681

IUPACN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)18-5-3-4-17(14-18)16-7-9-20(10-8-16)31(29,30)27-19-11-13-28(15-19)21-6-1-2-12-26-21/h1-10,12,14,19,27H,11,13,15H2/t19-/m0/s1
InChIKeyQRXVGZCSAWHADZ-IBGZPJMESA-N
MW447.48 g/mol
LogP4.32
Rot. Bonds5

About N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide

N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 99875681) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID99875681
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC NameN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)18-5-3-4-17(14-18)16-7-9-20(10-8-16)31(29,30)27-19-11-13-28(15-19)21-6-1-2-12-26-21/h1-10,12,14,19,27H,11,13,15H2/t19-/m0/s1
InChIKeyQRXVGZCSAWHADZ-IBGZPJMESA-N
XLogP4.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]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

4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
1-(1-pyridin-2-ylpyrrolidin-3-yl)-3-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]urea
CID 166376481
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 99875681) is N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QRXVGZCSAWHADZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c23-22(24,25)18-5-3-4-17(14-18)16-7-9-20(10-8-16)31(29,30)27-19-11-13-28(15-19)21-6-1-2-12-26-21/h1-10,12,14,19,27H,11,13,15H2/t19-/m0/s1.
What are the key properties of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 447.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 99875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).