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

C13H9F3INO3S — CID 26952500

IUPACN-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1I)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3INO3S/c14-13(15,16)21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-1-3-11(12)17/h1-8,18H
InChIKeyMCSZJJWFWBATFQ-UHFFFAOYSA-N
MW443.18 g/mol
LogP3.99
Rot. Bonds4

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

N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 26952500) has the molecular formula C13H9F3INO3S and a molecular weight of 443.18 g/mol. Its IUPAC name is N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID26952500
Molecular FormulaC13H9F3INO3S
Molecular Weight443.18 g/mol
Exact Mass442.93
IUPAC NameN-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1I)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3INO3S/c14-13(15,16)21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-1-3-11(12)17/h1-8,18H
InChIKeyMCSZJJWFWBATFQ-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.18
LogP ≤ 53.99
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-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-[2-iodo-4-(trifluoromethoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 70663020
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
S-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate
CID 11697747
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 31324731

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 26952500) is N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccccc1I)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MCSZJJWFWBATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO3S/c14-13(15,16)21-9-5-7-10(8-6-9)22(19,20)18-12-4-2-1-3-11(12)17/h1-8,18H.
What are the key properties of N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 443.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 26952500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).