N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C14H9F6NO3S — CID 31809103

IUPACN-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)25(22,23)21-9-4-3-5-10(8-9)24-14(18,19)20/h1-8,21H
InChIKeyHXOYFKVZKSXQGA-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.40
Rot. Bonds4

About N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 31809103) has the molecular formula C14H9F6NO3S and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID31809103
Molecular FormulaC14H9F6NO3S
Molecular Weight385.29 g/mol
Exact Mass385.02
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)25(22,23)21-9-4-3-5-10(8-9)24-14(18,19)20/h1-8,21H
InChIKeyHXOYFKVZKSXQGA-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 31809103) is N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HXOYFKVZKSXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)25(22,23)21-9-4-3-5-10(8-9)24-14(18,19)20/h1-8,21H.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31809103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).