N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H8F4INO3S — CID 3807348

IUPACN-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F4INO3S/c14-11-7-8(18)1-6-12(11)19-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,19H
InChIKeyMHAGHZHINVSDTO-UHFFFAOYSA-N
MW461.17 g/mol
LogP4.13
Rot. Bonds4

About N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3807348) has the molecular formula C13H8F4INO3S and a molecular weight of 461.17 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3807348
Molecular FormulaC13H8F4INO3S
Molecular Weight461.17 g/mol
Exact Mass460.92
IUPAC NameN-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F4INO3S/c14-11-7-8(18)1-6-12(11)19-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,19H
InChIKeyMHAGHZHINVSDTO-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.17
LogP ≤ 54.13
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-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 162599033
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-[2-iodo-4-(trifluoromethoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 70663020
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
sodium N-(2-fluoro-4-iodophenyl)sulfamate
CID 23674125
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3543365

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3807348) is N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MHAGHZHINVSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4INO3S/c14-11-7-8(18)1-6-12(11)19-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,19H.
What are the key properties of N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 461.17 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).