N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide

C15H14F3NO3S — CID 70690111

IUPACN-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
SMILESCC(O)(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c1-14(20,15(16,17)18)11-7-9-12(10-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19-20H,1H3
InChIKeyBWCGELRRFLWOAY-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide

N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide (PubChem CID 70690111) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
PubChem CID70690111
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
SMILESCC(O)(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c1-14(20,15(16,17)18)11-7-9-12(10-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19-20H,1H3
InChIKeyBWCGELRRFLWOAY-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide (CID 70690111) is N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide is CC(O)(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is BWCGELRRFLWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-14(20,15(16,17)18)11-7-9-12(10-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19-20H,1H3.
What are the key properties of N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70690111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).