(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate

C8H6F3N2O3S- — CID 155621360

IUPAC(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESNc1ccc(/C([O-])=N/S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)13-7(14)5-1-3-6(12)4-2-5/h1-4H,12H2,(H,13,14)/p-1
InChIKeyBRJMTPDXXAWYCH-UHFFFAOYSA-M
MW267.21 g/mol
LogP0.23
Rot. Bonds2

About (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate

(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate (PubChem CID 155621360) has the molecular formula C8H6F3N2O3S- and a molecular weight of 267.21 g/mol. Its IUPAC name is (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate.

Molecular Properties

Compound Name(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
PubChem CID155621360
Molecular FormulaC8H6F3N2O3S-
Molecular Weight267.21 g/mol
Exact Mass267.01
IUPAC Name(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESNc1ccc(/C([O-])=N/S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)13-7(14)5-1-3-6(12)4-2-5/h1-4H,12H2,(H,13,14)/p-1
InChIKeyBRJMTPDXXAWYCH-UHFFFAOYSA-M
XLogP0.23
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate 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

(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate
CID 155621509
(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
CID 56696846
4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-(dimethylamino)-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-isocyano-N-(trifluoromethylsulfonyl)benzenecarboximidate;4-nitro-N-(trifluoromethylsulfonyl)benzenecarboximidate;N-(2,3,4,5,6-pentafluorophenyl)sulfonyladamantane-1-carboximidate
CID 167696472
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
heptakis(4-aminobenzoate);manganese
CID 101030419
sodium N'-(4-aminophenyl)sulfonylcarbamimidate
CID 138399650
(1Z)-4-iodo-2-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 162771682
4-aminobenzoic acid;hydrofluoride
CID 159690577
1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311154
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid
CID 175386135

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The IUPAC name of (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate (CID 155621360) is (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate.
What is the SMILES notation for (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The canonical SMILES for (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate is Nc1ccc(/C([O-])=N/S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The InChIKey is BRJMTPDXXAWYCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)13-7(14)5-1-3-6(12)4-2-5/h1-4H,12H2,(H,13,14)/p-1.
What are the key properties of (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate?
(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate has a molecular weight of 267.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate is sourced from PubChem (CID 155621360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).