2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide

C8H4F6INO2S — CID 119003736

IUPAC2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(I)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4F6INO2S/c9-7(10,11)3-1-4(8(12,13)14)6(5(15)2-3)19(16,17)18/h1-2H,(H2,16,17,18)
InChIKeyNPBKJFGPKIMMGU-UHFFFAOYSA-N
MW419.08 g/mol
LogP2.98
Rot. Bonds1

About 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide

2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 119003736) has the molecular formula C8H4F6INO2S and a molecular weight of 419.08 g/mol. Its IUPAC name is 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
PubChem CID119003736
Molecular FormulaC8H4F6INO2S
Molecular Weight419.08 g/mol
Exact Mass418.89
IUPAC Name2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(I)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4F6INO2S/c9-7(10,11)3-1-4(8(12,13)14)6(5(15)2-3)19(16,17)18/h1-2H,(H2,16,17,18)
InChIKeyNPBKJFGPKIMMGU-UHFFFAOYSA-N
XLogP2.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.08
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 134638251
2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 118998718
2,4,6-tris(trifluoromethyl)benzenesulfonate
CID 22057315
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
CID 44891192
sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine
CID 138619915
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
CID 154727788
2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
CID 134623910
2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
CID 131297995
2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 131297996

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide (CID 119003736) is 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(I)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is NPBKJFGPKIMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6INO2S/c9-7(10,11)3-1-4(8(12,13)14)6(5(15)2-3)19(16,17)18/h1-2H,(H2,16,17,18).
What are the key properties of 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide?
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 419.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119003736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).