N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C15H8F9NO2S — CID 42913167

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-12(4-2-8)28(26,27)25-11-6-9(14(19,20)21)5-10(7-11)15(22,23)24/h1-7,25H
InChIKeyXWIMTSBJNRIAGD-UHFFFAOYSA-N
MW437.28 g/mol
LogP5.54
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 42913167) has the molecular formula C15H8F9NO2S and a molecular weight of 437.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID42913167
Molecular FormulaC15H8F9NO2S
Molecular Weight437.28 g/mol
Exact Mass437.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-12(4-2-8)28(26,27)25-11-6-9(14(19,20)21)5-10(7-11)15(22,23)24/h1-7,25H
InChIKeyXWIMTSBJNRIAGD-UHFFFAOYSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 42913167) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XWIMTSBJNRIAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-12(4-2-8)28(26,27)25-11-6-9(14(19,20)21)5-10(7-11)15(22,23)24/h1-7,25H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 437.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).