2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

C6H9ClF3NO2S — CID 106216711

IUPAC2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9ClF3NO2S/c7-3-4-14(12,13)11-5(1-2-5)6(8,9)10/h11H,1-4H2
InChIKeyUAYXUDIXMMEURR-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.24
Rot. Bonds4

About 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (PubChem CID 106216711) has the molecular formula C6H9ClF3NO2S and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
PubChem CID106216711
Molecular FormulaC6H9ClF3NO2S
Molecular Weight251.66 g/mol
Exact Mass251.00
IUPAC Name2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9ClF3NO2S/c7-3-4-14(12,13)11-5(1-2-5)6(8,9)10/h11H,1-4H2
InChIKeyUAYXUDIXMMEURR-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (CID 106216711) is 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is O=S(=O)(CCCl)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The InChIKey is UAYXUDIXMMEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO2S/c7-3-4-14(12,13)11-5(1-2-5)6(8,9)10/h11H,1-4H2.
What are the key properties of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide has a molecular weight of 251.66 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 106216711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).