N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C18H19F3N2O3S — CID 99903578

IUPACN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-10-17(11-9-16)27(24,25)22-13-15-7-4-12-23(15)14-5-2-1-3-6-14/h1-3,5-6,8-11,15,22H,4,7,12-13H2/t15-/m0/s1
InChIKeyLEWMFHSWHSWUPW-HNNXBMFYSA-N
MW400.42 g/mol
LogP3.53
Rot. Bonds6

About N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 99903578) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID99903578
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-10-17(11-9-16)27(24,25)22-13-15-7-4-12-23(15)14-5-2-1-3-6-14/h1-3,5-6,8-11,15,22H,4,7,12-13H2/t15-/m0/s1
InChIKeyLEWMFHSWHSWUPW-HNNXBMFYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)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

methyl 4-[(1-phenylpyrrolidin-2-yl)methylsulfamoyl]benzoate
CID 90620037
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90619256
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90620054
N-[[(1R,2S)-2-phenylcyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 171593436
3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90619999
N-[[(1R,2R)-2-hydroxy-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 156809540
5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 90619991
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416
N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90619684

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 99903578) is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LEWMFHSWHSWUPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-10-17(11-9-16)27(24,25)22-13-15-7-4-12-23(15)14-5-2-1-3-6-14/h1-3,5-6,8-11,15,22H,4,7,12-13H2/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 99903578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).