N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H19ClF3NO2S — CID 107849243

IUPACN-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCCCCCl
InChIInChI=1S/C10H19ClF3NO2S/c11-7-3-1-2-4-8-15-18(16,17)9-5-6-10(12,13)14/h15H,1-9H2
InChIKeyFJVSYJJJOZINAP-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.05
Rot. Bonds10

About N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 107849243) has the molecular formula C10H19ClF3NO2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID107849243
Molecular FormulaC10H19ClF3NO2S
Molecular Weight309.78 g/mol
Exact Mass309.08
IUPAC NameN-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCCCCCl
InChIInChI=1S/C10H19ClF3NO2S/c11-7-3-1-2-4-8-15-18(16,17)9-5-6-10(12,13)14/h15H,1-9H2
InChIKeyFJVSYJJJOZINAP-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.05
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'}

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Related Compounds

CF3(CF2)5(CH2)2SO2NH(CH2)3Cl
CID 53469612
5-chloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)hexane-1-sulfonamide
CID 57097858
N-amyl-4-chlorobutanesulfonamide
CID 13468220
N-[(2R)-2-chlorohexyl]ethanesulfonamide
CID 134933923
N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
CID 134934526
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869
N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058512
N-(2-chloro-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058538
N-(4-chlorocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058666
N-[(2-chlorocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058667
N-[(3-chlorocyclobutyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059119
N-(4-chloro-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059293

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 107849243) is N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is FJVSYJJJOZINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO2S/c11-7-3-1-2-4-8-15-18(16,17)9-5-6-10(12,13)14/h15H,1-9H2.
What are the key properties of N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 309.78 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 107849243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).