N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

C15H10F4N2O3S — CID 574298

IUPACN-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(F)c1
InChIInChI=1S/C15H10F4N2O3S/c16-10-2-1-3-11(7-10)20-14(22)8-25-13-5-4-9(15(17,18)19)6-12(13)21(23)24/h1-7H,8H2,(H,20,22)
InChIKeySVISWYOKKUOXHI-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.48
Rot. Bonds5

About N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 574298) has the molecular formula C15H10F4N2O3S and a molecular weight of 374.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID574298
Molecular FormulaC15H10F4N2O3S
Molecular Weight374.32 g/mol
Exact Mass374.03
IUPAC NameN-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(F)c1
InChIInChI=1S/C15H10F4N2O3S/c16-10-2-1-3-11(7-10)20-14(22)8-25-13-5-4-9(15(17,18)19)6-12(13)21(23)24/h1-7H,8H2,(H,20,22)
InChIKeySVISWYOKKUOXHI-UHFFFAOYSA-N
XLogP4.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide (CID 574298) is N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is SVISWYOKKUOXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3S/c16-10-2-1-3-11(7-10)20-14(22)8-25-13-5-4-9(15(17,18)19)6-12(13)21(23)24/h1-7H,8H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 374.32 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 574298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).