N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide

C6H10F6N2O5S3 — CID 20577524

IUPACN-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F6N2O5S3/c1-2-3-4-20(15,13-21(16,17)5(7,8)9)14-22(18,19)6(10,11)12/h2-4H2,1H3,(H,13,14,15)
InChIKeyKYQDQPXBPNLMQX-UHFFFAOYSA-N
MW400.34 g/mol
LogP1.46
Rot. Bonds6

About N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide

N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 20577524) has the molecular formula C6H10F6N2O5S3 and a molecular weight of 400.34 g/mol. Its IUPAC name is N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID20577524
Molecular FormulaC6H10F6N2O5S3
Molecular Weight400.34 g/mol
Exact Mass399.97
IUPAC NameN-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCS(=O)(=NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F6N2O5S3/c1-2-3-4-20(15,13-21(16,17)5(7,8)9)14-22(18,19)6(10,11)12/h2-4H2,1H3,(H,13,14,15)
InChIKeyKYQDQPXBPNLMQX-UHFFFAOYSA-N
XLogP1.46
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide (CID 20577524) is N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide is CCCCS(=O)(=NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KYQDQPXBPNLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F6N2O5S3/c1-2-3-4-20(15,13-21(16,17)5(7,8)9)14-22(18,19)6(10,11)12/h2-4H2,1H3,(H,13,14,15).
What are the key properties of N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide?
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 400.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 20577524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).