2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H15F5N2OS — CID 2321982

IUPAC2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H15F5N2OS/c22-20(23)30-16-10-8-14(9-11-16)27-18-7-2-1-6-17(18)19(29)28-15-5-3-4-13(12-15)21(24,25)26/h1-12,20,27H,(H,28,29)
InChIKeyBHJHPBVDGIXULH-UHFFFAOYSA-N
MW438.42 g/mol
LogP7.02
Rot. Bonds6

About 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2321982) has the molecular formula C21H15F5N2OS and a molecular weight of 438.42 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID2321982
Molecular FormulaC21H15F5N2OS
Molecular Weight438.42 g/mol
Exact Mass438.08
IUPAC Name2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H15F5N2OS/c22-20(23)30-16-10-8-14(9-11-16)27-18-7-2-1-6-17(18)19(29)28-15-5-3-4-13(12-15)21(24,25)26/h1-12,20,27H,(H,28,29)
InChIKeyBHJHPBVDGIXULH-UHFFFAOYSA-N
XLogP7.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.42
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767366
2-[4-(difluoromethylsulfanyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791220
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 2321982) is 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BHJHPBVDGIXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2OS/c22-20(23)30-16-10-8-14(9-11-16)27-18-7-2-1-6-17(18)19(29)28-15-5-3-4-13(12-15)21(24,25)26/h1-12,20,27H,(H,28,29).
What are the key properties of 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.42 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2321982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).