1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide

C7H3F14NO4S2 — CID 89125362

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide
SMILESCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F14NO4S2/c1-22(27(23,24)6(18,19)2(8,9)4(12,13)14)28(25,26)7(20,21)3(10,11)5(15,16)17/h1H3
InChIKeyUUQRKCWBYCJBCN-UHFFFAOYSA-N
MW495.21 g/mol
LogP3.16
Rot. Bonds6

About 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide (PubChem CID 89125362) has the molecular formula C7H3F14NO4S2 and a molecular weight of 495.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide
PubChem CID89125362
Molecular FormulaC7H3F14NO4S2
Molecular Weight495.21 g/mol
Exact Mass494.93
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide
SMILESCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F14NO4S2/c1-22(27(23,24)6(18,19)2(8,9)4(12,13)14)28(25,26)7(20,21)3(10,11)5(15,16)17/h1H3
InChIKeyUUQRKCWBYCJBCN-UHFFFAOYSA-N
XLogP3.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)butane-1-sulfonamide
CID 11342381
N-chloro-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 134928553
N-bromo-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 134928554
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
CID 23524874
1,1,2,2,2-Pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
CID 58122766
1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152787
(1,1,2,2,3,3-Hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58519955
(1,1,2,2,3,3-Hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide
CID 58852798
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58997829
4,4,5,5,6,6,7,7-Octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide
CID 58997839
1,1,2,2,3,3-Hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide
CID 59112472
1,1,2,2,3-Pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59465076

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide (CID 89125362) is 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide is CN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide?
The InChIKey is UUQRKCWBYCJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F14NO4S2/c1-22(27(23,24)6(18,19)2(8,9)4(12,13)14)28(25,26)7(20,21)3(10,11)5(15,16)17/h1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide has a molecular weight of 495.21 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 89125362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).