2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C15H10ClF3N2O3S — CID 43043195

IUPAC2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10ClF3N2O3S/c16-11-6-5-9(21(23)24)7-10(11)14(22)20-12-3-1-2-4-13(12)25-8-15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyGSNREFGUAZUVGA-UHFFFAOYSA-N
MW390.77 g/mol
LogP5.15
Rot. Bonds5

About 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 43043195) has the molecular formula C15H10ClF3N2O3S and a molecular weight of 390.77 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID43043195
Molecular FormulaC15H10ClF3N2O3S
Molecular Weight390.77 g/mol
Exact Mass390.01
IUPAC Name2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10ClF3N2O3S/c16-11-6-5-9(21(23)24)7-10(11)14(22)20-12-3-1-2-4-13(12)25-8-15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyGSNREFGUAZUVGA-UHFFFAOYSA-N
XLogP5.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.77
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
CID 9417975
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043214
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 43043195) is 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCC(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is GSNREFGUAZUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3S/c16-11-6-5-9(21(23)24)7-10(11)14(22)20-12-3-1-2-4-13(12)25-8-15(17,18)19/h1-7H,8H2,(H,20,22).
What are the key properties of 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 390.77 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 43043195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).