5-iodo-2-(trifluoromethoxy)benzenesulfonamide

C7H5F3INO3S — CID 170998338

IUPAC5-iodo-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(I)ccc1OC(F)(F)F
InChIInChI=1S/C7H5F3INO3S/c8-7(9,10)15-5-2-1-4(11)3-6(5)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyNBODPTKMAVQWRW-UHFFFAOYSA-N
MW367.09 g/mol
LogP1.84
Rot. Bonds2

About 5-iodo-2-(trifluoromethoxy)benzenesulfonamide

5-iodo-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170998338) has the molecular formula C7H5F3INO3S and a molecular weight of 367.09 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID170998338
Molecular FormulaC7H5F3INO3S
Molecular Weight367.09 g/mol
Exact Mass366.90
IUPAC Name5-iodo-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(I)ccc1OC(F)(F)F
InChIInChI=1S/C7H5F3INO3S/c8-7(9,10)15-5-2-1-4(11)3-6(5)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyNBODPTKMAVQWRW-UHFFFAOYSA-N
XLogP1.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.09
LogP ≤ 51.84
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-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
(2-bromo-4-iodophenyl) trifluoromethanesulfonate
CID 138967530
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 166275064
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
2-(bromomethyl)-4-iodo-1-(trifluoromethoxy)benzene
CID 170997750
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 167980928
1-bromo-1-[5-iodo-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616039

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-iodo-2-(trifluoromethoxy)benzenesulfonamide (CID 170998338) is 5-iodo-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-iodo-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-iodo-2-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(I)ccc1OC(F)(F)F.
What is the InChIKey of 5-iodo-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NBODPTKMAVQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO3S/c8-7(9,10)15-5-2-1-4(11)3-6(5)16(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 5-iodo-2-(trifluoromethoxy)benzenesulfonamide?
5-iodo-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 367.09 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170998338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).