4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide

C19H20F3NO3S — CID 122230317

IUPAC4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-13-2-8-17(9-3-13)27(24,25)23-12-15-10-11-26-18(15)14-4-6-16(7-5-14)19(20,21)22/h2-9,15,18,23H,10-12H2,1H3/t15-,18+/m0/s1
InChIKeyGNZCMEUJQQMIQG-MAUKXSAKSA-N
MW399.43 g/mol
LogP4.07
Rot. Bonds5

About 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide

4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 122230317) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID122230317
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-13-2-8-17(9-3-13)27(24,25)23-12-15-10-11-26-18(15)14-4-6-16(7-5-14)19(20,21)22/h2-9,15,18,23H,10-12H2,1H3/t15-,18+/m0/s1
InChIKeyGNZCMEUJQQMIQG-MAUKXSAKSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]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

N-(2-Benzyl-3-(benzyloxy)propyl)-1,1,1-trifluoromethanesulfonamide
CID 72183446
[(R)-(3-fluoro-4-methylphenyl)-[(3S)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl] acetate
CID 138965030
N-(benzenesulfonyl)-N-[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]butyl]benzenesulfonamide
CID 177851682
4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide
CID 11486083
[(R)-2-(m-fluorophenyl)-2-methoxyethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97553529
N-(4-benzyloxy-3,3-diflurobutyl)-p-toluenesulfonamide
CID 13935583
N-(4-benzyloxy-2,2-difluorobutyl)-p-toluenesulfonamide
CID 19860703
N-[(2R,3R)-2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 24782006
methyl 6-[(1R,2S,5S)-2-[(4-phenylphenyl)methoxy]-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclopentyl]hex-4-enoate
CID 57243423
methyl (Z)-6-[(1R,2S,5S)-2-[(4-phenylphenyl)methoxy]-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclopentyl]hex-4-enoate
CID 67726220
N-[(2S,3S)-2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 68940163
N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 68940166

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide (CID 122230317) is 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is GNZCMEUJQQMIQG-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-13-2-8-17(9-3-13)27(24,25)23-12-15-10-11-26-18(15)14-4-6-16(7-5-14)19(20,21)22/h2-9,15,18,23H,10-12H2,1H3/t15-,18+/m0/s1.
What are the key properties of 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide?
4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 399.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 122230317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).