3-thionitroso-4-(trifluoromethoxy)benzamide

C8H5F3N2O2S — CID 89256304

IUPAC3-thionitroso-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(N=S)c1
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)15-6-2-1-4(7(12)14)3-5(6)13-16/h1-3H,(H2,12,14)
InChIKeyGQIXSIJYYMFOQF-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.05
Rot. Bonds3

About 3-thionitroso-4-(trifluoromethoxy)benzamide

3-thionitroso-4-(trifluoromethoxy)benzamide (PubChem CID 89256304) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-thionitroso-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-thionitroso-4-(trifluoromethoxy)benzamide
PubChem CID89256304
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name3-thionitroso-4-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OC(F)(F)F)c(N=S)c1
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)15-6-2-1-4(7(12)14)3-5(6)13-16/h1-3H,(H2,12,14)
InChIKeyGQIXSIJYYMFOQF-UHFFFAOYSA-N
XLogP2.05
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-thionitroso-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
3-formyl-4-(trifluoromethoxy)benzamide
CID 170998150
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331
1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 171367561
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
CID 172648842
3-(trifluoromethoxy)-4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]oxybenzoic acid
CID 170681913
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132

Frequently Asked Questions

What is the IUPAC name of 3-thionitroso-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-thionitroso-4-(trifluoromethoxy)benzamide (CID 89256304) is 3-thionitroso-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-thionitroso-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-thionitroso-4-(trifluoromethoxy)benzamide is NC(=O)c1ccc(OC(F)(F)F)c(N=S)c1.
What is the InChIKey of 3-thionitroso-4-(trifluoromethoxy)benzamide?
The InChIKey is GQIXSIJYYMFOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-8(10,11)15-6-2-1-4(7(12)14)3-5(6)13-16/h1-3H,(H2,12,14).
What are the key properties of 3-thionitroso-4-(trifluoromethoxy)benzamide?
3-thionitroso-4-(trifluoromethoxy)benzamide has a molecular weight of 250.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thionitroso-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 89256304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).