5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide

C12H9F2IN2O2S — CID 65022889

IUPAC5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C12H9F2IN2O2S/c13-8-5-7(16)6-11(12(8)14)20(18,19)17-10-4-2-1-3-9(10)15/h1-6,17H,16H2
InChIKeyPBFPDDJTOIDNPS-UHFFFAOYSA-N
MW410.18 g/mol
LogP2.95
Rot. Bonds3

About 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide

5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide (PubChem CID 65022889) has the molecular formula C12H9F2IN2O2S and a molecular weight of 410.18 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide
PubChem CID65022889
Molecular FormulaC12H9F2IN2O2S
Molecular Weight410.18 g/mol
Exact Mass409.94
IUPAC Name5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C12H9F2IN2O2S/c13-8-5-7(16)6-11(12(8)14)20(18,19)17-10-4-2-1-3-9(10)15/h1-6,17H,16H2
InChIKeyPBFPDDJTOIDNPS-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide (CID 65022889) is 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide?
The InChIKey is PBFPDDJTOIDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2IN2O2S/c13-8-5-7(16)6-11(12(8)14)20(18,19)17-10-4-2-1-3-9(10)15/h1-6,17H,16H2.
What are the key properties of 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide has a molecular weight of 410.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 65022889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).