2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide

C15H11F3N2O4S — CID 1318167

IUPAC2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)10-4-3-5-11(8-10)19-14(21)9-25(24)13-7-2-1-6-12(13)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyKTGATXNVJKCVII-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1318167) has the molecular formula C15H11F3N2O4S and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1318167
Molecular FormulaC15H11F3N2O4S
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)10-4-3-5-11(8-10)19-14(21)9-25(24)13-7-2-1-6-12(13)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyKTGATXNVJKCVII-UHFFFAOYSA-N
XLogP3.36
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.36
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

N-naphthalen-2-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 1342005
N-[3-(acetylamino)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}acetamide
CID 1320228
N-[4-(acetylamino)phenyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}acetamide
CID 1321687
2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-N-phenylacetamide
CID 564515
3-(4-methylbenzenesulfonyl)-N-(3-nitrophenyl)propanamide
CID 3425068
(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 44444333
2-(benzylthio)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 890917
4-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 2573092
2-(2,4-dinitrophenylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4469338
5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
CID 122195484
2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 155512595
2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 155528184

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1318167) is 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KTGATXNVJKCVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S/c16-15(17,18)10-4-3-5-11(8-10)19-14(21)9-25(24)13-7-2-1-6-12(13)20(22)23/h1-8H,9H2,(H,19,21).
What are the key properties of 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 372.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1318167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).