N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide

C15H9F7N2O3S — CID 155550237

IUPACN-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F7N2O3S/c16-11-7-10(4-5-12(11)24-28(26,27)15(20,21)22)23-13(25)8-2-1-3-9(6-8)14(17,18)19/h1-7,24H,(H,23,25)
InChIKeyUWJZBGVKMZIEMN-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.36
Rot. Bonds4

About N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide

N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155550237) has the molecular formula C15H9F7N2O3S and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155550237
Molecular FormulaC15H9F7N2O3S
Molecular Weight430.30 g/mol
Exact Mass430.02
IUPAC NameN-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F7N2O3S/c16-11-7-10(4-5-12(11)24-28(26,27)15(20,21)22)23-13(25)8-2-1-3-9(6-8)14(17,18)19/h1-7,24H,(H,23,25)
InChIKeyUWJZBGVKMZIEMN-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
CID 155545113
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[3-chloro-4-(trifluoromethylsulfonylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 155552193
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 154860777
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide (CID 155550237) is N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UWJZBGVKMZIEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7N2O3S/c16-11-7-10(4-5-12(11)24-28(26,27)15(20,21)22)23-13(25)8-2-1-3-9(6-8)14(17,18)19/h1-7,24H,(H,23,25).
What are the key properties of N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 430.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155550237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).