N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide

C10H9ClF3NO2S — CID 135074299

IUPACN-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC/C=C/c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2S/c11-9-5-1-3-8(7-9)4-2-6-15-18(16,17)10(12,13)14/h1-5,7,15H,6H2/b4-2+
InChIKeyVDZPXYHYCJFBIN-DUXPYHPUSA-N
MW299.70 g/mol
LogP2.79
Rot. Bonds4

About N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide

N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 135074299) has the molecular formula C10H9ClF3NO2S and a molecular weight of 299.70 g/mol. Its IUPAC name is N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID135074299
Molecular FormulaC10H9ClF3NO2S
Molecular Weight299.70 g/mol
Exact Mass299.00
IUPAC NameN-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC/C=C/c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2S/c11-9-5-1-3-8(7-9)4-2-6-15-18(16,17)10(12,13)14/h1-5,7,15H,6H2/b4-2+
InChIKeyVDZPXYHYCJFBIN-DUXPYHPUSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide (CID 135074299) is N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC/C=C/c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is VDZPXYHYCJFBIN-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H9ClF3NO2S/c11-9-5-1-3-8(7-9)4-2-6-15-18(16,17)10(12,13)14/h1-5,7,15H,6H2/b4-2+.
What are the key properties of N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide?
N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 299.70 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 135074299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).