4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C15H14F3NO4S — CID 56662184

IUPAC4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(O)cc1)N(CCC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2
InChIKeyRMLDUHAMOFYZJD-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.25
Rot. Bonds5

About 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 56662184) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID56662184
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(O)cc1)N(CCC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2
InChIKeyRMLDUHAMOFYZJD-UHFFFAOYSA-N
XLogP3.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 56662184) is 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is O=S(=O)(c1ccc(O)cc1)N(CCC(F)(F)F)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is RMLDUHAMOFYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2.
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 56662184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).