4-cyano-2-(trifluoromethoxy)benzenesulfonamide

C8H5F3N2O3S — CID 68577425

IUPAC4-cyano-2-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)16-6-3-5(4-12)1-2-7(6)17(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyCDCINLYEJJQUEM-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.10
Rot. Bonds2

About 4-cyano-2-(trifluoromethoxy)benzenesulfonamide

4-cyano-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 68577425) has the molecular formula C8H5F3N2O3S and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-cyano-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID68577425
Molecular FormulaC8H5F3N2O3S
Molecular Weight266.20 g/mol
Exact Mass266.00
IUPAC Name4-cyano-2-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)16-6-3-5(4-12)1-2-7(6)17(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyCDCINLYEJJQUEM-UHFFFAOYSA-N
XLogP1.10
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-cyano-2-(trifluoromethoxy)benzenesulfonamide (CID 68577425) is 4-cyano-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-(trifluoromethoxy)benzenesulfonamide is N#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1.
What is the InChIKey of 4-cyano-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CDCINLYEJJQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3S/c9-8(10,11)16-6-3-5(4-12)1-2-7(6)17(13,14)15/h1-3H,(H2,13,14,15).
What are the key properties of 4-cyano-2-(trifluoromethoxy)benzenesulfonamide?
4-cyano-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 266.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 68577425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).