N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide

C9H16ClF2NO3S — CID 107492854

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)CC(F)F
InChIInChI=1S/C9H16ClF2NO3S/c10-3-4-13(6-9(11)12)17(14,15)7-8-2-1-5-16-8/h8-9H,1-7H2
InChIKeyJHAGOHAPEORXKE-UHFFFAOYSA-N
MW291.75 g/mol
LogP1.30
Rot. Bonds7

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 107492854) has the molecular formula C9H16ClF2NO3S and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID107492854
Molecular FormulaC9H16ClF2NO3S
Molecular Weight291.75 g/mol
Exact Mass291.05
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CCCl)CC(F)F
InChIInChI=1S/C9H16ClF2NO3S/c10-3-4-13(6-9(11)12)17(14,15)7-8-2-1-5-16-8/h8-9H,1-7H2
InChIKeyJHAGOHAPEORXKE-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 107492854) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is JHAGOHAPEORXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2NO3S/c10-3-4-13(6-9(11)12)17(14,15)7-8-2-1-5-16-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 291.75 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 107492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).