2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide

C15H15FINO4S — CID 52575608

IUPAC2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2ccc(I)cc2C)cc1OC
InChIInChI=1S/C15H15FINO4S/c1-9-6-10(17)4-5-12(9)18-23(19,20)15-8-14(22-3)13(21-2)7-11(15)16/h4-8,18H,1-3H3
InChIKeyQABHZUGTKHKSBA-UHFFFAOYSA-N
MW451.26 g/mol
LogP3.56
Rot. Bonds5

About 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide

2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 52575608) has the molecular formula C15H15FINO4S and a molecular weight of 451.26 g/mol. Its IUPAC name is 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide
PubChem CID52575608
Molecular FormulaC15H15FINO4S
Molecular Weight451.26 g/mol
Exact Mass450.98
IUPAC Name2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2ccc(I)cc2C)cc1OC
InChIInChI=1S/C15H15FINO4S/c1-9-6-10(17)4-5-12(9)18-23(19,20)15-8-14(22-3)13(21-2)7-11(15)16/h4-8,18H,1-3H3
InChIKeyQABHZUGTKHKSBA-UHFFFAOYSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide (CID 52575608) is 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)Nc2ccc(I)cc2C)cc1OC.
What is the InChIKey of 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is QABHZUGTKHKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO4S/c1-9-6-10(17)4-5-12(9)18-23(19,20)15-8-14(22-3)13(21-2)7-11(15)16/h4-8,18H,1-3H3.
What are the key properties of 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide?
2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 451.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-iodo-2-methylphenyl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 52575608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).