N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H8F4INO3S — CID 162582675

IUPACN-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1I
InChIInChI=1S/C14H8F4INO3S/c15-11-4-5-12(13(19)10(11)7-21)20-24(22,23)9-3-1-2-8(6-9)14(16,17)18/h1-7,20H
InChIKeyWIKYMSOHYDNMFU-UHFFFAOYSA-N
MW473.19 g/mol
LogP4.06
Rot. Bonds4

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

N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 162582675) has the molecular formula C14H8F4INO3S and a molecular weight of 473.19 g/mol. Its IUPAC name is N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID162582675
Molecular FormulaC14H8F4INO3S
Molecular Weight473.19 g/mol
Exact Mass472.92
IUPAC NameN-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c(F)ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1I
InChIInChI=1S/C14H8F4INO3S/c15-11-4-5-12(13(19)10(11)7-21)20-24(22,23)9-3-1-2-8(6-9)14(16,17)18/h1-7,20H
InChIKeyWIKYMSOHYDNMFU-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16771222
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-[2-fluoro-4-methyl-5-(2-methylbutan-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 170149312
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 156833350
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 162582675) is N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide is O=Cc1c(F)ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1I.
What is the InChIKey of N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WIKYMSOHYDNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4INO3S/c15-11-4-5-12(13(19)10(11)7-21)20-24(22,23)9-3-1-2-8(6-9)14(16,17)18/h1-7,20H.
What are the key properties of N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 473.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162582675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).