1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide

C7H6F3NO3S — CID 56640941

IUPAC1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)15(13,14)11-5-1-3-6(12)4-2-5/h1-4,11-12H
InChIKeyKMVWJIAZVARRFQ-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.65
Rot. Bonds2

About 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide

1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide (PubChem CID 56640941) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide
PubChem CID56640941
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)15(13,14)11-5-1-3-6(12)4-2-5/h1-4,11-12H
InChIKeyKMVWJIAZVARRFQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide (CID 56640941) is 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide is O=S(=O)(Nc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide?
The InChIKey is KMVWJIAZVARRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-7(9,10)15(13,14)11-5-1-3-6(12)4-2-5/h1-4,11-12H.
What are the key properties of 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide has a molecular weight of 241.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 56640941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).