4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

C18H24F3N3O4S — CID 24952095

IUPAC4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O4S/c1-28-13-4-5-16(14(11-13)18(19,20)21)29(26,27)23-12-6-9-24(10-7-12)17(25)15-3-2-8-22-15/h4-5,11-12,15,22-23H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyGGOSPRZRJKLEHA-HNNXBMFYSA-N
MW435.47 g/mol
LogP1.74
Rot. Bonds5

About 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24952095) has the molecular formula C18H24F3N3O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24952095
Molecular FormulaC18H24F3N3O4S
Molecular Weight435.47 g/mol
Exact Mass435.14
IUPAC Name4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H24F3N3O4S/c1-28-13-4-5-16(14(11-13)18(19,20)21)29(26,27)23-12-6-9-24(10-7-12)17(25)15-3-2-8-22-15/h4-5,11-12,15,22-23H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyGGOSPRZRJKLEHA-HNNXBMFYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)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

DPP-4 ligand 14
CID 23647142
Cyclohexylalanine derived inhibitor, 19
CID 23647719
1-(4-Methoxy-benzenesulfonyl)-4-phenethylamino-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10502172
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
N-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 49797357
Bes(4-OMe)-Val-Pro-DL-Val-CF3
CID 10626170
(2R)-N-[3,4-dioxo-1-phenyl-4-(2-phenylethylamino)butan-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 11849209
(R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 11849704
N-[2,5-Dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-YL]-4-methoxybenzene-1-sulfonamide
CID 15991377
N1-(4-methoxyphenethyl)-N2-((1-((4-methoxyphenyl)sulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829937
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 17583817
4-methoxy-N-{[1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 23723550

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 24952095) is 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GGOSPRZRJKLEHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24F3N3O4S/c1-28-13-4-5-16(14(11-13)18(19,20)21)29(26,27)23-12-6-9-24(10-7-12)17(25)15-3-2-8-22-15/h4-5,11-12,15,22-23H,2-3,6-10H2,1H3/t15-/m0/s1.
What are the key properties of 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 435.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24952095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).