2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C15H8F9NO2S — CID 25015015

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-2-11(12(6-8)28(25,26)27)7-3-9(14(19,20)21)5-10(4-7)15(22,23)24/h1-6H,(H2,25,26,27)
InChIKeyZSDXNCNTTVPOBF-UHFFFAOYSA-N
MW437.28 g/mol
LogP5.06
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 25015015) has the molecular formula C15H8F9NO2S and a molecular weight of 437.28 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID25015015
Molecular FormulaC15H8F9NO2S
Molecular Weight437.28 g/mol
Exact Mass437.01
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-2-11(12(6-8)28(25,26)27)7-3-9(14(19,20)21)5-10(4-7)15(22,23)24/h1-6H,(H2,25,26,27)
InChIKeyZSDXNCNTTVPOBF-UHFFFAOYSA-N
XLogP5.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 140565047
2-fluoro-4-[3-sulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91027770
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
2-(4-bromophenyl)sulfanyl-5-(trifluoromethyl)benzenesulfonamide
CID 23546051
3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 143940241
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16753763
2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 131297996
CID 70262336
CID 70262336
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 25015015) is 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZSDXNCNTTVPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-2-11(12(6-8)28(25,26)27)7-3-9(14(19,20)21)5-10(4-7)15(22,23)24/h1-6H,(H2,25,26,27).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 437.28 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25015015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).