N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C13H6F6INO2S — CID 156833350

IUPACN-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(I)c1F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H6F6INO2S/c14-8-2-1-6(5-7(8)13(17,18)19)24(22,23)21-10-4-3-9(15)12(20)11(10)16/h1-5,21H
InChIKeyOATVAGAGHLJPDK-UHFFFAOYSA-N
MW481.16 g/mol
LogP4.53
Rot. Bonds3

About N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 156833350) has the molecular formula C13H6F6INO2S and a molecular weight of 481.16 g/mol. Its IUPAC name is N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID156833350
Molecular FormulaC13H6F6INO2S
Molecular Weight481.16 g/mol
Exact Mass480.91
IUPAC NameN-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(I)c1F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H6F6INO2S/c14-8-2-1-6(5-7(8)13(17,18)19)24(22,23)21-10-4-3-9(15)12(20)11(10)16/h1-5,21H
InChIKeyOATVAGAGHLJPDK-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
CID 47073253
N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 162659078
4-fluoro-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121149546
N-(4-amino-3-nitrophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 47516585
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 156833350) is N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(I)c1F)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OATVAGAGHLJPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6INO2S/c14-8-2-1-6(5-7(8)13(17,18)19)24(22,23)21-10-4-3-9(15)12(20)11(10)16/h1-5,21H.
What are the key properties of N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 481.16 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 156833350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).