1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide

C14H27F6NO4S3 — CID 134716463

IUPAC1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCS(CCCC)(CCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H27F6NO4S3/c1-4-7-10-26(11-8-5-2,12-9-6-3)21(27(22,23)13(15,16)17)28(24,25)14(18,19)20/h4-12H2,1-3H3
InChIKeyQEVXLAHUTMPGSK-UHFFFAOYSA-N
MW483.56 g/mol
LogP5.11
Rot. Bonds12

About 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide

1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134716463) has the molecular formula C14H27F6NO4S3 and a molecular weight of 483.56 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134716463
Molecular FormulaC14H27F6NO4S3
Molecular Weight483.56 g/mol
Exact Mass483.10
IUPAC Name1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCS(CCCC)(CCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H27F6NO4S3/c1-4-7-10-26(11-8-5-2,12-9-6-3)21(27(22,23)13(15,16)17)28(24,25)14(18,19)20/h4-12H2,1-3H3
InChIKeyQEVXLAHUTMPGSK-UHFFFAOYSA-N
XLogP5.11
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triethylsulfonium bis(trifluoromethanesulfonyl)imide
CID 16211135
Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 53316418
1,1,1-trifluoro-N-(triethyl-lambda4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 129773255
Diethylmethylsulphonium bis(trifluoromethanesulfonyl)imide
CID 129830261
Dimethylethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716288
Dimethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716307
Dimethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716326
Methylethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716327
Diethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716352
Dimethyl-1-pentylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716353
Methylethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716356
Diethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716378

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134716463) is 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCS(CCCC)(CCCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is QEVXLAHUTMPGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F6NO4S3/c1-4-7-10-26(11-8-5-2,12-9-6-3)21(27(22,23)13(15,16)17)28(24,25)14(18,19)20/h4-12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 483.56 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(tributyl-λ4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134716463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).