N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C16H16F3NO3S — CID 24776336

IUPACN-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10,12,21H,11H2,1H3
InChIKeyWTZWWGVPJSFBKK-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.50
Rot. Bonds5

About N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 24776336) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID24776336
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10,12,21H,11H2,1H3
InChIKeyWTZWWGVPJSFBKK-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 24776336) is N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WTZWWGVPJSFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-12(21)13-7-9-14(10-8-13)20(11-16(17,18)19)24(22,23)15-5-3-2-4-6-15/h2-10,12,21H,11H2,1H3.
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 24776336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).