N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide

C10H11ClF3NO2S — CID 134861731

IUPACN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO2S/c1-7(15-18(16,17)10(12,13)14)6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m1/s1
InChIKeyIAHOOFONKIUIBC-SSDOTTSWSA-N
MW301.72 g/mol
LogP2.71
Rot. Bonds4

About N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 134861731) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID134861731
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO2S/c1-7(15-18(16,17)10(12,13)14)6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m1/s1
InChIKeyIAHOOFONKIUIBC-SSDOTTSWSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
CID 14880086
N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide
CID 97222354
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3,3-dimethylbutan-1-ol;2,2,2-trifluoroacetic acid
CID 154885625
1,1,1-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79027896
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
2-[1-(4-chlorophenyl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115927458
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 134861731) is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide is C[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is IAHOOFONKIUIBC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-7(15-18(16,17)10(12,13)14)6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 301.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 134861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).