4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C15H11ClF3NOS — CID 16623224

IUPAC4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3NOS/c16-11-7-5-10(6-8-11)14(21)20-12-3-1-2-4-13(12)22-9-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyBRSHFHBEEDPEEV-UHFFFAOYSA-N
MW345.77 g/mol
LogP5.25
Rot. Bonds4

About 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 16623224) has the molecular formula C15H11ClF3NOS and a molecular weight of 345.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID16623224
Molecular FormulaC15H11ClF3NOS
Molecular Weight345.77 g/mol
Exact Mass345.02
IUPAC Name4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3NOS/c16-11-7-5-10(6-8-11)14(21)20-12-3-1-2-4-13(12)22-9-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyBRSHFHBEEDPEEV-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 55554211
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045168
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043195
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 16623224) is 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is BRSHFHBEEDPEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NOS/c16-11-7-5-10(6-8-11)14(21)20-12-3-1-2-4-13(12)22-9-15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 345.77 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 16623224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).