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

C14H9F6NO3S — CID 3858974

IUPAC4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)9-2-1-3-10(8-9)21-25(22,23)12-6-4-11(5-7-12)24-14(18,19)20/h1-8,21H
InChIKeyYHNIRNHLGZMBQP-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.40
Rot. Bonds4

About 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3858974) has the molecular formula C14H9F6NO3S and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3858974
Molecular FormulaC14H9F6NO3S
Molecular Weight385.29 g/mol
Exact Mass385.02
IUPAC Name4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)9-2-1-3-10(8-9)21-25(22,23)12-6-4-11(5-7-12)24-14(18,19)20/h1-8,21H
InChIKeyYHNIRNHLGZMBQP-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 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3858974) is 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YHNIRNHLGZMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S/c15-13(16,17)9-2-1-3-10(8-9)21-25(22,23)12-6-4-11(5-7-12)24-14(18,19)20/h1-8,21H.
What are the key properties of 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]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 4-(trifluoromethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3858974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).