N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide

C15H10F5NOS — CID 2567810

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F5NOS/c16-14(17)23-12-7-5-11(6-8-12)21-13(22)9-1-3-10(4-2-9)15(18,19)20/h1-8,14H,(H,21,22)
InChIKeyTUJPYYKRXQMZQG-UHFFFAOYSA-N
MW347.31 g/mol
LogP5.27
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 2567810) has the molecular formula C15H10F5NOS and a molecular weight of 347.31 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID2567810
Molecular FormulaC15H10F5NOS
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F5NOS/c16-14(17)23-12-7-5-11(6-8-12)21-13(22)9-1-3-10(4-2-9)15(18,19)20/h1-8,14H,(H,21,22)
InChIKeyTUJPYYKRXQMZQG-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
CID 63188288
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26908369
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 3557413
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide (CID 2567810) is N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is TUJPYYKRXQMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NOS/c16-14(17)23-12-7-5-11(6-8-12)21-13(22)9-1-3-10(4-2-9)15(18,19)20/h1-8,14H,(H,21,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 347.31 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2567810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).