4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide

C8H4F3IN2O2S — CID 154727788

IUPAC4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(I)c(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C8H4F3IN2O2S/c9-8(10,11)5-2-7(17(14,15)16)6(12)1-4(5)3-13/h1-2H,(H2,14,15,16)
InChIKeyHAYREGTVTAQZTO-UHFFFAOYSA-N
MW376.10 g/mol
LogP1.83
Rot. Bonds1

About 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide

4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 154727788) has the molecular formula C8H4F3IN2O2S and a molecular weight of 376.10 g/mol. Its IUPAC name is 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
PubChem CID154727788
Molecular FormulaC8H4F3IN2O2S
Molecular Weight376.10 g/mol
Exact Mass375.90
IUPAC Name4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(I)c(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C8H4F3IN2O2S/c9-8(10,11)5-2-7(17(14,15)16)6(12)1-4(5)3-13/h1-2H,(H2,14,15,16)
InChIKeyHAYREGTVTAQZTO-UHFFFAOYSA-N
XLogP1.83
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.10
LogP ≤ 51.83
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-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 118805308
N-[4-cyano-2-iodo-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 171678543
4-cyano-5-iodo-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118844890
4-(2-chloroacetyl)-5-iodo-2-(trifluoromethyl)benzonitrile
CID 171024904
4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
2-cyano-6-(trifluoromethyl)benzenesulfonamide
CID 171028588
2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 118996048
4-(aminomethyl)-2-iodo-5-(trifluoromethyl)benzonitrile
CID 171019220
5-iodo-2-(trifluoromethyl)benzonitrile
CID 66762150
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
CID 131297995

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide (CID 154727788) is 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide is N#Cc1cc(I)c(S(N)(=O)=O)cc1C(F)(F)F.
What is the InChIKey of 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HAYREGTVTAQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2O2S/c9-8(10,11)5-2-7(17(14,15)16)6(12)1-4(5)3-13/h1-2H,(H2,14,15,16).
What are the key properties of 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide?
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 376.10 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154727788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).