4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide

C10H13F3N4O2S — CID 65483976

IUPAC4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O2S/c1-17(2)20(18,19)16-6-3-4-7(9(14)15)8(5-6)10(11,12)13/h3-5,16H,1-2H3,(H3,14,15)
InChIKeyANHACHYNYDVEMR-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.21
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide

4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 65483976) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID65483976
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O2S/c1-17(2)20(18,19)16-6-3-4-7(9(14)15)8(5-6)10(11,12)13/h3-5,16H,1-2H3,(H3,14,15)
InChIKeyANHACHYNYDVEMR-UHFFFAOYSA-N
XLogP1.21
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide 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-(2-methylpropylsulfonylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 65483393
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
3-[4-carbamimidoyl-3-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79162710
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
4-(2-methylpropylsulfonylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 65483001
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62330156
1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
CID 65483179
5-(tert-butylsulfonylamino)-2-(trifluoromethyl)benzamide
CID 175090793
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide (CID 65483976) is 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NS(=O)(=O)N(C)C)cc1C(F)(F)F.
What is the InChIKey of 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ANHACHYNYDVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-17(2)20(18,19)16-6-3-4-7(9(14)15)8(5-6)10(11,12)13/h3-5,16H,1-2H3,(H3,14,15).
What are the key properties of 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide?
4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 310.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 65483976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).