N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide

C13H15F3N2O2S — CID 20682703

IUPACN-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESC=CCN(CC=C)c1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-3-8-18(9-4-2)12-7-5-6-11(10-12)17-21(19,20)13(14,15)16/h3-7,10,17H,1-2,8-9H2
InChIKeyZXZMGPJFOHRRIJ-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 20682703) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID20682703
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESC=CCN(CC=C)c1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-3-8-18(9-4-2)12-7-5-6-11(10-12)17-21(19,20)13(14,15)16/h3-7,10,17H,1-2,8-9H2
InChIKeyZXZMGPJFOHRRIJ-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 20682703) is N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide is C=CCN(CC=C)c1cccc(NS(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZXZMGPJFOHRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-3-8-18(9-4-2)12-7-5-6-11(10-12)17-21(19,20)13(14,15)16/h3-7,10,17H,1-2,8-9H2.
What are the key properties of N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 320.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(prop-2-enyl)amino]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 20682703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).