1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide

C13H10F3NO4S — CID 14722280

IUPAC1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO4S/c14-13(15,16)22(19,20)17-11-8-9(18)6-7-12(11)21-10-4-2-1-3-5-10/h1-8,17-18H
InChIKeyNQQSNXZEDLQCJW-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.45
Rot. Bonds4

About 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide

1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide (PubChem CID 14722280) has the molecular formula C13H10F3NO4S and a molecular weight of 333.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide
PubChem CID14722280
Molecular FormulaC13H10F3NO4S
Molecular Weight333.29 g/mol
Exact Mass333.03
IUPAC Name1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO4S/c14-13(15,16)22(19,20)17-11-8-9(18)6-7-12(11)21-10-4-2-1-3-5-10/h1-8,17-18H
InChIKeyNQQSNXZEDLQCJW-UHFFFAOYSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide (CID 14722280) is 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide is O=S(=O)(Nc1cc(O)ccc1Oc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide?
The InChIKey is NQQSNXZEDLQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4S/c14-13(15,16)22(19,20)17-11-8-9(18)6-7-12(11)21-10-4-2-1-3-5-10/h1-8,17-18H.
What are the key properties of 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-hydroxy-2-phenoxyphenyl)methanesulfonamide is sourced from PubChem (CID 14722280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).