4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide

C14H11F3INO3S — CID 162599033

IUPAC4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESCC(F)(F)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C14H11F3INO3S/c1-14(16,17)22-10-3-5-11(6-4-10)23(20,21)19-13-7-2-9(18)8-12(13)15/h2-8,19H,1H3
InChIKeyYNNIZLHHHQYPTR-UHFFFAOYSA-N
MW457.21 g/mol
LogP4.22
Rot. Bonds5

About 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide

4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (PubChem CID 162599033) has the molecular formula C14H11F3INO3S and a molecular weight of 457.21 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
PubChem CID162599033
Molecular FormulaC14H11F3INO3S
Molecular Weight457.21 g/mol
Exact Mass456.95
IUPAC Name4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESCC(F)(F)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C14H11F3INO3S/c1-14(16,17)22-10-3-5-11(6-4-10)23(20,21)19-13-7-2-9(18)8-12(13)15/h2-8,19H,1H3
InChIKeyYNNIZLHHHQYPTR-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
sodium N-(2-fluoro-4-iodophenyl)sulfamate
CID 23674125
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-[2-iodo-4-(trifluoromethoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 70663020

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (CID 162599033) is 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is CC(F)(F)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1.
What is the InChIKey of 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The InChIKey is YNNIZLHHHQYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO3S/c1-14(16,17)22-10-3-5-11(6-4-10)23(20,21)19-13-7-2-9(18)8-12(13)15/h2-8,19H,1H3.
What are the key properties of 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide has a molecular weight of 457.21 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 162599033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).