N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H20F3NO3S — CID 164862762

IUPACN-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC[C@H]1C[C@]1(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C)c1
InChIInChI=1S/C19H20F3NO3S/c1-3-14-12-18(14,15-6-4-5-13(2)11-15)23-27(24,25)17-9-7-16(8-10-17)26-19(20,21)22/h4-11,14,23H,3,12H2,1-2H3/t14-,18+/m0/s1
InChIKeyVVCURUWTNDLSDG-KBXCAEBGSA-N
MW399.43 g/mol
LogP4.50
Rot. Bonds6

About N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862762) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862762
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC NameN-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC[C@H]1C[C@]1(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C)c1
InChIInChI=1S/C19H20F3NO3S/c1-3-14-12-18(14,15-6-4-5-13(2)11-15)23-27(24,25)17-9-7-16(8-10-17)26-19(20,21)22/h4-11,14,23H,3,12H2,1-2H3/t14-,18+/m0/s1
InChIKeyVVCURUWTNDLSDG-KBXCAEBGSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-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

N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862821
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
CID 161048134
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862762) is N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide is CC[C@H]1C[C@]1(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C)c1.
What is the InChIKey of N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VVCURUWTNDLSDG-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-3-14-12-18(14,15-6-4-5-13(2)11-15)23-27(24,25)17-9-7-16(8-10-17)26-19(20,21)22/h4-11,14,23H,3,12H2,1-2H3/t14-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 399.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).