5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide

C10H15ClF7NO2S — CID 57097858

IUPAC5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide
SMILESCC(Cl)CCCCS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15ClF7NO2S/c1-7(11)4-2-3-5-22(20,21)19-6-8(12,13)9(14,15)10(16,17)18/h7,19H,2-6H2,1H3
InChIKeyRZQNOLSFUHNAEH-UHFFFAOYSA-N
MW381.74 g/mol
LogP3.54
Rot. Bonds9

About 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide

5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide (PubChem CID 57097858) has the molecular formula C10H15ClF7NO2S and a molecular weight of 381.74 g/mol. Its IUPAC name is 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide
PubChem CID57097858
Molecular FormulaC10H15ClF7NO2S
Molecular Weight381.74 g/mol
Exact Mass381.04
IUPAC Name5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide
SMILESCC(Cl)CCCCS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15ClF7NO2S/c1-7(11)4-2-3-5-22(20,21)19-6-8(12,13)9(14,15)10(16,17)18/h7,19H,2-6H2,1H3
InChIKeyRZQNOLSFUHNAEH-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide (CID 57097858) is 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide is CC(Cl)CCCCS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide?
The InChIKey is RZQNOLSFUHNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF7NO2S/c1-7(11)4-2-3-5-22(20,21)19-6-8(12,13)9(14,15)10(16,17)18/h7,19H,2-6H2,1H3.
What are the key properties of 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide?
5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide has a molecular weight of 381.74 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide is sourced from PubChem (CID 57097858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).