3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide

C19H14FIN2O3S — CID 42992510

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H14FIN2O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-12,23H,(H,22,24)
InChIKeyNSDSGGNMDWFDOE-UHFFFAOYSA-N
MW496.30 g/mol
LogP4.48
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide (PubChem CID 42992510) has the molecular formula C19H14FIN2O3S and a molecular weight of 496.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
PubChem CID42992510
Molecular FormulaC19H14FIN2O3S
Molecular Weight496.30 g/mol
Exact Mass495.98
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H14FIN2O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-12,23H,(H,22,24)
InChIKeyNSDSGGNMDWFDOE-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

N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide (CID 42992510) is 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide is O=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide?
The InChIKey is NSDSGGNMDWFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FIN2O3S/c20-17-6-1-2-7-18(17)23-27(25,26)16-5-3-4-13(12-16)19(24)22-15-10-8-14(21)9-11-15/h1-12,23H,(H,22,24).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)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 3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide is sourced from PubChem (CID 42992510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).