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

C14H9F6NO4S — CID 31071215

IUPAC2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO4S/c15-13(16,17)24-10-6-2-1-5-9(10)21-26(22,23)12-8-4-3-7-11(12)25-14(18,19)20/h1-8,21H
InChIKeyNKPPWFZNCVKPLB-UHFFFAOYSA-N
MW401.28 g/mol
LogP4.28
Rot. Bonds5

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

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 31071215) has the molecular formula C14H9F6NO4S and a molecular weight of 401.28 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID31071215
Molecular FormulaC14H9F6NO4S
Molecular Weight401.28 g/mol
Exact Mass401.02
IUPAC Name2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO4S/c15-13(16,17)24-10-6-2-1-5-9(10)21-26(22,23)12-8-4-3-7-11(12)25-14(18,19)20/h1-8,21H
InChIKeyNKPPWFZNCVKPLB-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 31071215) is 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is NKPPWFZNCVKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO4S/c15-13(16,17)24-10-6-2-1-5-9(10)21-26(22,23)12-8-4-3-7-11(12)25-14(18,19)20/h1-8,21H.
What are the key properties of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 401.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 31071215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).