4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

C16H13F5N2OS — CID 47829508

IUPAC4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccc(SC(F)F)cc1
InChIInChI=1S/C16H13F5N2OS/c17-15(18)25-11-7-5-10(6-8-11)14(24)23-13-4-2-1-3-12(13)22-9-16(19,20)21/h1-8,15,22H,9H2,(H,23,24)
InChIKeyANDUHLSGUKOFDW-UHFFFAOYSA-N
MW376.35 g/mol
LogP5.23
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (PubChem CID 47829508) has the molecular formula C16H13F5N2OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
PubChem CID47829508
Molecular FormulaC16H13F5N2OS
Molecular Weight376.35 g/mol
Exact Mass376.07
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1NCC(F)(F)F)c1ccc(SC(F)F)cc1
InChIInChI=1S/C16H13F5N2OS/c17-15(18)25-11-7-5-10(6-8-11)14(24)23-13-4-2-1-3-12(13)22-9-16(19,20)21/h1-8,15,22H,9H2,(H,23,24)
InChIKeyANDUHLSGUKOFDW-UHFFFAOYSA-N
XLogP5.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.35
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468500
4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167914964
2-amino-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide
CID 119861596
N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 47076267
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (CID 47829508) is 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The InChIKey is ANDUHLSGUKOFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2OS/c17-15(18)25-11-7-5-10(6-8-11)14(24)23-13-4-2-1-3-12(13)22-9-16(19,20)21/h1-8,15,22H,9H2,(H,23,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide has a molecular weight of 376.35 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is sourced from PubChem (CID 47829508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).