2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide

C5H8ClF4NO2S — CID 106295320

IUPAC2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(F)(F)C(F)F
InChIInChI=1S/C5H8ClF4NO2S/c6-1-2-14(12,13)11-3-5(9,10)4(7)8/h4,11H,1-3H2
InChIKeyPSLNBQBVESUMKF-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.04
Rot. Bonds6

About 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide

2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide (PubChem CID 106295320) has the molecular formula C5H8ClF4NO2S and a molecular weight of 257.64 g/mol. Its IUPAC name is 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
PubChem CID106295320
Molecular FormulaC5H8ClF4NO2S
Molecular Weight257.64 g/mol
Exact Mass256.99
IUPAC Name2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(F)(F)C(F)F
InChIInChI=1S/C5H8ClF4NO2S/c6-1-2-14(12,13)11-3-5(9,10)4(7)8/h4,11H,1-3H2
InChIKeyPSLNBQBVESUMKF-UHFFFAOYSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43654160
N-(3-chloropropyl)-1,1-difluoromethanesulfonamide
CID 43133790
N-(2-chloroethyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
CID 53469802
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869
N-(2-chloropropyl)-1,1-difluoromethanesulfonamide
CID 65033622
3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79580205
3-chloro-2-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 79585264
N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058512
N-(2-chloroethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058641
N-(2-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058665
N-(1-chloropropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059118
N-(3-chlorobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide (CID 106295320) is 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide is O=S(=O)(CCCl)NCC(F)(F)C(F)F.
What is the InChIKey of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide?
The InChIKey is PSLNBQBVESUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF4NO2S/c6-1-2-14(12,13)11-3-5(9,10)4(7)8/h4,11H,1-3H2.
What are the key properties of 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide?
2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide has a molecular weight of 257.64 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide is sourced from PubChem (CID 106295320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).