2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide

C19H13F2IN2O3S — CID 18893279

IUPAC2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1F)c1ccccc1F
InChIInChI=1S/C19H13F2IN2O3S/c20-16-4-2-1-3-15(16)19(25)23-18-10-9-14(11-17(18)21)28(26,27)24-13-7-5-12(22)6-8-13/h1-11,24H,(H,23,25)
InChIKeySDGYMSNWVRAJRU-UHFFFAOYSA-N
MW514.29 g/mol
LogP4.62
Rot. Bonds5

About 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide

2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893279) has the molecular formula C19H13F2IN2O3S and a molecular weight of 514.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893279
Molecular FormulaC19H13F2IN2O3S
Molecular Weight514.29 g/mol
Exact Mass513.97
IUPAC Name2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1F)c1ccccc1F
InChIInChI=1S/C19H13F2IN2O3S/c20-16-4-2-1-3-15(16)19(25)23-18-10-9-14(11-17(18)21)28(26,27)24-13-7-5-12(22)6-8-13/h1-11,24H,(H,23,25)
InChIKeySDGYMSNWVRAJRU-UHFFFAOYSA-N
XLogP4.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.29
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893309
2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893315
N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893361
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164618091
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide (CID 18893279) is 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is SDGYMSNWVRAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2IN2O3S/c20-16-4-2-1-3-15(16)19(25)23-18-10-9-14(11-17(18)21)28(26,27)24-13-7-5-12(22)6-8-13/h1-11,24H,(H,23,25).
What are the key properties of 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 514.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).