N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide

C16H15ClF3NO3S — CID 99876192

IUPACN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3NO3S/c1-24-15(13-4-2-3-5-14(13)17)10-21-25(22,23)12-8-6-11(7-9-12)16(18,19)20/h2-9,15,21H,10H2,1H3/t15-/m0/s1
InChIKeyCQCDSPWIBDQCFM-HNNXBMFYSA-N
MW393.81 g/mol
LogP4.02
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 99876192) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID99876192
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClF3NO3S/c1-24-15(13-4-2-3-5-14(13)17)10-21-25(22,23)12-8-6-11(7-9-12)16(18,19)20/h2-9,15,21H,10H2,1H3/t15-/m0/s1
InChIKeyCQCDSPWIBDQCFM-HNNXBMFYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.02
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]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 99876192) is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CQCDSPWIBDQCFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c1-24-15(13-4-2-3-5-14(13)17)10-21-25(22,23)12-8-6-11(7-9-12)16(18,19)20/h2-9,15,21H,10H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 393.81 g/mol, XLogP of 4.02, 6 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]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 99876192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).