N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide

C14H11FINO3S — CID 79758879

IUPACN-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H11FINO3S/c1-21(19,20)11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyIMSFTTWCGZLQNO-UHFFFAOYSA-N
MW419.22 g/mol
LogP3.09
Rot. Bonds3

About N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide

N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide (PubChem CID 79758879) has the molecular formula C14H11FINO3S and a molecular weight of 419.22 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
PubChem CID79758879
Molecular FormulaC14H11FINO3S
Molecular Weight419.22 g/mol
Exact Mass418.95
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H11FINO3S/c1-21(19,20)11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyIMSFTTWCGZLQNO-UHFFFAOYSA-N
XLogP3.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide (CID 79758879) is N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2I)cc1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide?
The InChIKey is IMSFTTWCGZLQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO3S/c1-21(19,20)11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide?
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide has a molecular weight of 419.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 79758879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).