N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C17H17ClF3NO3S — CID 99876219

IUPACN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClF3NO3S/c1-25-16(14-4-2-3-5-15(14)18)10-22-26(23,24)11-12-6-8-13(9-7-12)17(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m0/s1
InChIKeyJCOXVUWSJBCYIA-INIZCTEOSA-N
MW407.84 g/mol
LogP4.17
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 99876219) has the molecular formula C17H17ClF3NO3S and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID99876219
Molecular FormulaC17H17ClF3NO3S
Molecular Weight407.84 g/mol
Exact Mass407.06
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClF3NO3S/c1-25-16(14-4-2-3-5-15(14)18)10-22-26(23,24)11-12-6-8-13(9-7-12)17(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m0/s1
InChIKeyJCOXVUWSJBCYIA-INIZCTEOSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 99876219) is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CO[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is JCOXVUWSJBCYIA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClF3NO3S/c1-25-16(14-4-2-3-5-15(14)18)10-22-26(23,24)11-12-6-8-13(9-7-12)17(19,20)21/h2-9,16,22H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 407.84 g/mol, XLogP of 4.17, 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-chlorophenyl)-2-methoxyethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 99876219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).