N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

C10H5BrF8INO3S — CID 102348796

IUPACN-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C10H5BrF8INO3S/c11-5-3-1-2-4-6(5)21-25(22,23)10(18,19)9(16,17)24-8(14,15)7(12,13)20/h1-4,21H
InChIKeySDMBIGGGVNAJSC-UHFFFAOYSA-N
MW578.01 g/mol
LogP5.01
Rot. Bonds7

About N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (PubChem CID 102348796) has the molecular formula C10H5BrF8INO3S and a molecular weight of 578.01 g/mol. Its IUPAC name is N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
PubChem CID102348796
Molecular FormulaC10H5BrF8INO3S
Molecular Weight578.01 g/mol
Exact Mass576.81
IUPAC NameN-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1Br)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C10H5BrF8INO3S/c11-5-3-1-2-4-6(5)21-25(22,23)10(18,19)9(16,17)24-8(14,15)7(12,13)20/h1-4,21H
InChIKeySDMBIGGGVNAJSC-UHFFFAOYSA-N
XLogP5.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.01
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The IUPAC name of N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (CID 102348796) is N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is O=S(=O)(Nc1ccccc1Br)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The InChIKey is SDMBIGGGVNAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF8INO3S/c11-5-3-1-2-4-6(5)21-25(22,23)10(18,19)9(16,17)24-8(14,15)7(12,13)20/h1-4,21H.
What are the key properties of N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide has a molecular weight of 578.01 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is sourced from PubChem (CID 102348796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).