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

C5H9ClF3NO2S — CID 107651931

IUPAC2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCC(F)(F)F
InChIInChI=1S/C5H9ClF3NO2S/c6-2-4-13(11,12)10-3-1-5(7,8)9/h10H,1-4H2
InChIKeyJTRLKOOXTWODDU-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.10
Rot. Bonds5

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

2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 107651931) has the molecular formula C5H9ClF3NO2S and a molecular weight of 239.65 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID107651931
Molecular FormulaC5H9ClF3NO2S
Molecular Weight239.65 g/mol
Exact Mass239.00
IUPAC Name2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCC(F)(F)F
InChIInChI=1S/C5H9ClF3NO2S/c6-2-4-13(11,12)10-3-1-5(7,8)9/h10H,1-4H2
InChIKeyJTRLKOOXTWODDU-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43654160
N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 64585926
N-(2,2-difluoroethyl)propane-2-sulfonamide
CID 79090167
3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 88913193
N-ethyl-3,3,3-trifluoropropane-1-sulfonamide
CID 123601489
2,2,2-trifluoro-N-propylethanesulfonamide
CID 141913994
N-(3-chloropropyl)-1,1,1-trifluoromethanesulfonamide
CID 10421223
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-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60910340
2-amino-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 63226676
3-amino-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63226727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 107651931) is 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide is O=S(=O)(CCCl)NCCC(F)(F)F.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is JTRLKOOXTWODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClF3NO2S/c6-2-4-13(11,12)10-3-1-5(7,8)9/h10H,1-4H2.
What are the key properties of 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 239.65 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 107651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).