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

C16H15ClF3NO3S — CID 90534840

IUPAC1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-14-7-1-11(2-8-14)10-25(23,24)21-9-15(22)12-3-5-13(6-4-12)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyKWQAAEZOKZRPSS-UHFFFAOYSA-N
MW393.81 g/mol
LogP3.51
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (PubChem CID 90534840) has the molecular formula C16H15ClF3NO3S and a molecular weight of 393.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
PubChem CID90534840
Molecular FormulaC16H15ClF3NO3S
Molecular Weight393.81 g/mol
Exact Mass393.04
IUPAC Name1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15ClF3NO3S/c17-14-7-1-11(2-8-14)10-25(23,24)21-9-15(22)12-3-5-13(6-4-12)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyKWQAAEZOKZRPSS-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (CID 90534840) is 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is KWQAAEZOKZRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3S/c17-14-7-1-11(2-8-14)10-25(23,24)21-9-15(22)12-3-5-13(6-4-12)16(18,19)20/h1-8,15,21-22H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
1-(4-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-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 90534840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).