1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

C16H15ClF3NO3S — CID 56765484

IUPAC1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-14-4-2-1-3-12(14)10-25(23,24)21-9-15(22)11-5-7-13(8-6-11)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeySKRCFMPRGDXYDU-UHFFFAOYSA-N
MW393.81 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (PubChem CID 56765484) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
PubChem CID56765484
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-14-4-2-1-3-12(14)10-25(23,24)21-9-15(22)11-5-7-13(8-6-11)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeySKRCFMPRGDXYDU-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765478
3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopropanesulfonamide
CID 56765472
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
CID 72003032
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245
[(R)-2-(o-chlorophenyl)-2-methoxyethyl]{[p-(trifluoromethyl)phenyl]methylsulfonyl}amine
CID 99876219
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
N-(2-{[1,1'-biphenyl]-4-yl}-2-hydroxypropyl)-1-(2-chlorophenyl)methanesulfonamide
CID 71781841
(S)-2-[(o-chlorophenyl)methylsulfonylamino]-1-cyclopropyl-1-phenyl-1-ethanol
CID 95379511
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-methylpropane-1-sulfonamide
CID 56765473
2-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765480

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (CID 56765484) is 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is SKRCFMPRGDXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c17-14-4-2-1-3-12(14)10-25(23,24)21-9-15(22)11-5-7-13(8-6-11)16(18,19)20/h1-8,15,21-22H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 393.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 56765484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).