N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide

C9H11ClF3NO2S — CID 68850325

IUPACN-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2C=C(Cl)C1C2)C(F)(F)F
InChIInChI=1S/C9H11ClF3NO2S/c10-8-3-5-1-6(7(8)2-5)4-14-17(15,16)9(11,12)13/h3,5-7,14H,1-2,4H2
InChIKeyJTBIGZDJPWJNEI-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.20
Rot. Bonds3

About N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 68850325) has the molecular formula C9H11ClF3NO2S and a molecular weight of 289.71 g/mol. Its IUPAC name is N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID68850325
Molecular FormulaC9H11ClF3NO2S
Molecular Weight289.71 g/mol
Exact Mass289.02
IUPAC NameN-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2C=C(Cl)C1C2)C(F)(F)F
InChIInChI=1S/C9H11ClF3NO2S/c10-8-3-5-1-6(7(8)2-5)4-14-17(15,16)9(11,12)13/h3,5-7,14H,1-2,4H2
InChIKeyJTBIGZDJPWJNEI-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 68850325) is N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1CC2C=C(Cl)C1C2)C(F)(F)F.
What is the InChIKey of N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is JTBIGZDJPWJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2S/c10-8-3-5-1-6(7(8)2-5)4-14-17(15,16)9(11,12)13/h3,5-7,14H,1-2,4H2.
What are the key properties of N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 289.71 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-bicyclo[2.2.1]hept-5-enyl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 68850325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).