2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide

C19H14FIN2O3S — CID 164618091

IUPAC2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(I)cc1F
InChIInChI=1S/C19H14FIN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyFEETWFGNHVHRAS-UHFFFAOYSA-N
MW496.30 g/mol
LogP4.48
Rot. Bonds5

About 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide

2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 164618091) has the molecular formula C19H14FIN2O3S and a molecular weight of 496.30 g/mol. Its IUPAC name is 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID164618091
Molecular FormulaC19H14FIN2O3S
Molecular Weight496.30 g/mol
Exact Mass495.98
IUPAC Name2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(I)cc1F
InChIInChI=1S/C19H14FIN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyFEETWFGNHVHRAS-UHFFFAOYSA-N
XLogP4.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.30
LogP ≤ 54.48
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

4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
2,4-difluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 53257051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 164618091) is 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(I)cc1F.
What is the InChIKey of 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is FEETWFGNHVHRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FIN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24).
What are the key properties of 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide?
2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 496.30 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 164618091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).