N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H19F4NO3S — CID 97428480

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H19F4NO3S/c1-17(26-2,15-5-3-4-6-16(15)19)12-23-27(24,25)11-13-7-9-14(10-8-13)18(20,21)22/h3-10,23H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyCQFWAHCQCLCTLA-KRWDZBQOSA-N
MW405.41 g/mol
LogP3.83
Rot. Bonds7

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 97428480) has the molecular formula C18H19F4NO3S and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID97428480
Molecular FormulaC18H19F4NO3S
Molecular Weight405.41 g/mol
Exact Mass405.10
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H19F4NO3S/c1-17(26-2,15-5-3-4-6-16(15)19)12-23-27(24,25)11-13-7-9-14(10-8-13)18(20,21)22/h3-10,23H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyCQFWAHCQCLCTLA-KRWDZBQOSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 97428480) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CO[C@@](C)(CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is CQFWAHCQCLCTLA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F4NO3S/c1-17(26-2,15-5-3-4-6-16(15)19)12-23-27(24,25)11-13-7-9-14(10-8-13)18(20,21)22/h3-10,23H,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 405.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 97428480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).