6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide

C8H6F3N3O2S — CID 151930753

IUPAC6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)ccc(N)c1S(N)(=O)=O
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)5-1-2-6(13)7(4(5)3-12)17(14,15)16/h1-2H,13H2,(H2,14,15,16)
InChIKeySYSUVEBPOXADTC-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.81
Rot. Bonds1

About 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide

6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 151930753) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
PubChem CID151930753
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Name6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)ccc(N)c1S(N)(=O)=O
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)5-1-2-6(13)7(4(5)3-12)17(14,15)16/h1-2H,13H2,(H2,14,15,16)
InChIKeySYSUVEBPOXADTC-UHFFFAOYSA-N
XLogP0.81
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide (CID 151930753) is 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide is N#Cc1c(C(F)(F)F)ccc(N)c1S(N)(=O)=O.
What is the InChIKey of 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SYSUVEBPOXADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c9-8(10,11)5-1-2-6(13)7(4(5)3-12)17(14,15)16/h1-2H,13H2,(H2,14,15,16).
What are the key properties of 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide?
6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 265.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 151930753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).