N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C15H14F3NO3S — CID 24776335

IUPACN-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(CO)cc1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2
InChIKeyGNQJQTSRHDQFTL-UHFFFAOYSA-N
MW345.34 g/mol
LogP2.94
Rot. Bonds5

About N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 24776335) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID24776335
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(CO)cc1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2
InChIKeyGNQJQTSRHDQFTL-UHFFFAOYSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 24776335) is N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is GNQJQTSRHDQFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2.
What are the key properties of N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 24776335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).