2-cyano-6-(trifluoromethyl)benzenesulfonamide

C8H5F3N2O2S — CID 171028588

IUPAC2-cyano-6-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-3-1-2-5(4-12)7(6)16(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyUINHVYSVYXDULC-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.22
Rot. Bonds1

About 2-cyano-6-(trifluoromethyl)benzenesulfonamide

2-cyano-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 171028588) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-cyano-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-6-(trifluoromethyl)benzenesulfonamide
PubChem CID171028588
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name2-cyano-6-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cccc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-3-1-2-5(4-12)7(6)16(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyUINHVYSVYXDULC-UHFFFAOYSA-N
XLogP1.22
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-6-(trifluoromethyl)benzenesulfonamide (CID 171028588) is 2-cyano-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-6-(trifluoromethyl)benzenesulfonamide is N#Cc1cccc(C(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-cyano-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UINHVYSVYXDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-8(10,11)6-3-1-2-5(4-12)7(6)16(13,14)15/h1-3H,(H2,13,14,15).
What are the key properties of 2-cyano-6-(trifluoromethyl)benzenesulfonamide?
2-cyano-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 250.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 171028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).