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

C16H15ClF3NO3S — CID 90534838

IUPAC5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c1-10-2-7-13(17)8-15(10)25(23,24)21-9-14(22)11-3-5-12(6-4-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3
InChIKeyBCTQGGOFHKSTCJ-UHFFFAOYSA-N
MW393.81 g/mol
LogP3.68
Rot. Bonds5

About 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide

5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide (PubChem CID 90534838) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
PubChem CID90534838
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c1-10-2-7-13(17)8-15(10)25(23,24)21-9-14(22)11-3-5-12(6-4-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3
InChIKeyBCTQGGOFHKSTCJ-UHFFFAOYSA-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

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90534850
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 166232803
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide (CID 90534838) is 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is BCTQGGOFHKSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c1-10-2-7-13(17)8-15(10)25(23,24)21-9-14(22)11-3-5-12(6-4-11)16(18,19)20/h2-8,14,21-22H,9H2,1H3.
What are the key properties of 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide?
5-chloro-N-[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 5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 90534838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).