benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid

C10H12ClF3N2O4S — CID 174852884

IUPACbenzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[H]/N=C(\C)Cl
InChIInChI=1S/C6H7NO2S.C2H4ClN.C2HF3O2/c7-10(8,9)6-4-2-1-3-5-6;1-2(3)4;3-2(4,5)1(6)7/h1-5H,(H2,7,8,9);4H,1H3;(H,6,7)/b;4-2+;
InChIKeyFTKLHHYXHGVAKE-ADXGFCJISA-N
MW348.73 g/mol
LogP2.19
Rot. Bonds1

About benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid

benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid (PubChem CID 174852884) has the molecular formula C10H12ClF3N2O4S and a molecular weight of 348.73 g/mol. Its IUPAC name is benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebenzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid
PubChem CID174852884
Molecular FormulaC10H12ClF3N2O4S
Molecular Weight348.73 g/mol
Exact Mass348.02
IUPAC Namebenzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[H]/N=C(\C)Cl
InChIInChI=1S/C6H7NO2S.C2H4ClN.C2HF3O2/c7-10(8,9)6-4-2-1-3-5-6;1-2(3)4;3-2(4,5)1(6)7/h1-5H,(H2,7,8,9);4H,1H3;(H,6,7)/b;4-2+;
InChIKeyFTKLHHYXHGVAKE-ADXGFCJISA-N
XLogP2.19
TPSA121.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid?
The IUPAC name of benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid (CID 174852884) is benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid.
What is the SMILES notation for benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid?
The canonical SMILES for benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid is NS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[H]/N=C(\C)Cl.
What is the InChIKey of benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid?
The InChIKey is FTKLHHYXHGVAKE-ADXGFCJISA-N. The full InChI is InChI=1S/C6H7NO2S.C2H4ClN.C2HF3O2/c7-10(8,9)6-4-2-1-3-5-6;1-2(3)4;3-2(4,5)1(6)7/h1-5H,(H2,7,8,9);4H,1H3;(H,6,7)/b;4-2+;.
What are the key properties of benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid?
benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid has a molecular weight of 348.73 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174852884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).