2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide

C10H14FN3O2S — CID 107329498

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
SMILES[H]/N=C(\N)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H14FN3O2S/c1-6-3-8(11)4-7(2)10(6)17(15,16)14-5-9(12)13/h3-4,14H,5H2,1-2H3,(H3,12,13)
InChIKeyLAQZSCGQIVLEJS-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.66
Rot. Bonds4

About 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide (PubChem CID 107329498) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
PubChem CID107329498
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
SMILES[H]/N=C(\N)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H14FN3O2S/c1-6-3-8(11)4-7(2)10(6)17(15,16)14-5-9(12)13/h3-4,14H,5H2,1-2H3,(H3,12,13)
InChIKeyLAQZSCGQIVLEJS-UHFFFAOYSA-N
XLogP0.66
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.66
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-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide
CID 107329503
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]pentanethioamide
CID 107327675
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide (CID 107329498) is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide is [H]/N=C(\N)CNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide?
The InChIKey is LAQZSCGQIVLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-6-3-8(11)4-7(2)10(6)17(15,16)14-5-9(12)13/h3-4,14H,5H2,1-2H3,(H3,12,13).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide?
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide has a molecular weight of 259.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide is sourced from PubChem (CID 107329498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).