N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide

C20H15FINO3S — CID 91408660

IUPACN-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H15FINO3S/c1-13-6-9-15(10-7-13)27(25,26)23-19-11-8-14(22)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,23H,1H3
InChIKeyHHYIAMPUAXXPFW-UHFFFAOYSA-N
MW495.31 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide

N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide (PubChem CID 91408660) has the molecular formula C20H15FINO3S and a molecular weight of 495.31 g/mol. Its IUPAC name is N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
PubChem CID91408660
Molecular FormulaC20H15FINO3S
Molecular Weight495.31 g/mol
Exact Mass494.98
IUPAC NameN-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H15FINO3S/c1-13-6-9-15(10-7-13)27(25,26)23-19-11-8-14(22)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,23H,1H3
InChIKeyHHYIAMPUAXXPFW-UHFFFAOYSA-N
XLogP4.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide (CID 91408660) is N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide?
The InChIKey is HHYIAMPUAXXPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FINO3S/c1-13-6-9-15(10-7-13)27(25,26)23-19-11-8-14(22)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,23H,1H3.
What are the key properties of N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide?
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide has a molecular weight of 495.31 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91408660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).