2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide

C14H14FN3O2S — CID 107806205

IUPAC2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2S/c1-9-4-2-7-12(13(9)14(16)17)18-21(19,20)11-6-3-5-10(15)8-11/h2-8,18H,1H3,(H3,16,17)
InChIKeyZQFQEIZVDZPNEG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.22
Rot. Bonds4

About 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide

2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide (PubChem CID 107806205) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
PubChem CID107806205
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2S/c1-9-4-2-7-12(13(9)14(16)17)18-21(19,20)11-6-3-5-10(15)8-11/h2-8,18H,1H3,(H3,16,17)
InChIKeyZQFQEIZVDZPNEG-UHFFFAOYSA-N
XLogP2.22
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.22
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'}

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Related Compounds

2-methyl-6-(sulfamoylamino)benzenecarboximidamide
CID 107806238
2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
CID 107806235
2-methyl-6-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107806177
2-methyl-6-(4,4,4-trifluorobutylsulfonylamino)benzenecarboximidamide
CID 107806229
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
2,6-dimethylbenzenecarboximidamide
CID 5047790
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
ethyl 4-(ethylamino)-3-[(3-fluorophenyl)sulfonylamino]benzoate
CID 36619347
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide?
The IUPAC name of 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide (CID 107806205) is 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide?
The InChIKey is ZQFQEIZVDZPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-9-4-2-7-12(13(9)14(16)17)18-21(19,20)11-6-3-5-10(15)8-11/h2-8,18H,1H3,(H3,16,17).
What are the key properties of 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide?
2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide has a molecular weight of 307.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide is sourced from PubChem (CID 107806205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).