N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide

C16H16F3NO3S — CID 56765389

IUPACN-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO3S/c1-15(21,12-5-3-2-4-6-12)11-20-24(22,23)14-9-7-13(8-10-14)16(17,18)19/h2-10,20-21H,11H2,1H3
InChIKeyKYHKQGCDUHKBQO-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.89
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 56765389) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID56765389
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO3S/c1-15(21,12-5-3-2-4-6-12)11-20-24(22,23)14-9-7-13(8-10-14)16(17,18)19/h2-10,20-21H,11H2,1H3
InChIKeyKYHKQGCDUHKBQO-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide (CID 56765389) is N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KYHKQGCDUHKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-15(21,12-5-3-2-4-6-12)11-20-24(22,23)14-9-7-13(8-10-14)16(17,18)19/h2-10,20-21H,11H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 56765389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).