N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C4HCl2F8NO3S — CID 11013997

IUPACN,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESO=S(=O)(N(Cl)Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4HCl2F8NO3S/c5-15(6)19(16,17)4(13,14)3(11,12)18-2(9,10)1(7)8/h1H
InChIKeyRPTNYQSOIFWHNF-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.99
Rot. Bonds6

About N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 11013997) has the molecular formula C4HCl2F8NO3S and a molecular weight of 366.01 g/mol. Its IUPAC name is N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID11013997
Molecular FormulaC4HCl2F8NO3S
Molecular Weight366.01 g/mol
Exact Mass364.89
IUPAC NameN,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESO=S(=O)(N(Cl)Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4HCl2F8NO3S/c5-15(6)19(16,17)4(13,14)3(11,12)18-2(9,10)1(7)8/h1H
InChIKeyRPTNYQSOIFWHNF-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 11013997) is N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is O=S(=O)(N(Cl)Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is RPTNYQSOIFWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F8NO3S/c5-15(6)19(16,17)4(13,14)3(11,12)18-2(9,10)1(7)8/h1H.
What are the key properties of N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 366.01 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 11013997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).