3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide

C16H15ClF3NO3S — CID 95368266

IUPAC3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c1-10-13(17)3-2-4-15(10)25(23,24)21-9-14(22)11-5-7-12(8-6-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3/t14-/m1/s1
InChIKeyCAZAJIVJVACSGV-CQSZACIVSA-N
MW393.81 g/mol
LogP3.68
Rot. Bonds5

About 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide

3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide (PubChem CID 95368266) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
PubChem CID95368266
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c1-10-13(17)3-2-4-15(10)25(23,24)21-9-14(22)11-5-7-12(8-6-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3/t14-/m1/s1
InChIKeyCAZAJIVJVACSGV-CQSZACIVSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 90534838
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 122244303
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90534850
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 166232803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide (CID 95368266) is 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is CAZAJIVJVACSGV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c1-10-13(17)3-2-4-15(10)25(23,24)21-9-14(22)11-5-7-12(8-6-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 393.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 95368266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).