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

C15H8F9NO2S — CID 3471758

IUPAC3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-11-1-7(2-12(17)13(11)18)6-25-28(26,27)10-4-8(14(19,20)21)3-9(5-10)15(22,23)24/h1-5,25H,6H2
InChIKeySVKYFOOICCVVHA-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.62
Rot. Bonds4

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

3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (PubChem CID 3471758) has the molecular formula C15H8F9NO2S and a molecular weight of 437.28 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
PubChem CID3471758
Molecular FormulaC15H8F9NO2S
Molecular Weight437.28 g/mol
Exact Mass437.01
IUPAC Name3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-11-1-7(2-12(17)13(11)18)6-25-28(26,27)10-4-8(14(19,20)21)3-9(5-10)15(22,23)24/h1-5,25H,6H2
InChIKeySVKYFOOICCVVHA-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 3862785
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 4994552
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 25046521
3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 98000782
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 8716782
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (CID 3471758) is 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The InChIKey is SVKYFOOICCVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9NO2S/c16-11-1-7(2-12(17)13(11)18)6-25-28(26,27)10-4-8(14(19,20)21)3-9(5-10)15(22,23)24/h1-5,25H,6H2.
What are the key properties of 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide has a molecular weight of 437.28 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3471758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).