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

C14H22FN3O2S — CID 107329503

IUPAC2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FN3O2S/c1-5-14(6-2,13(16)17)18-21(19,20)12-9(3)7-11(15)8-10(12)4/h7-8,18H,5-6H2,1-4H3,(H3,16,17)
InChIKeyNPKPPEJXWFNYOS-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.22
Rot. Bonds6

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

2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide (PubChem CID 107329503) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide.

Molecular Properties

Compound Name2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide
PubChem CID107329503
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FN3O2S/c1-5-14(6-2,13(16)17)18-21(19,20)12-9(3)7-11(15)8-10(12)4/h7-8,18H,5-6H2,1-4H3,(H3,16,17)
InChIKeyNPKPPEJXWFNYOS-UHFFFAOYSA-N
XLogP2.22
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
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

4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
CID 107329498
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide?
The IUPAC name of 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide (CID 107329503) is 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide.
What is the SMILES notation for 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide?
The canonical SMILES for 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide?
The InChIKey is NPKPPEJXWFNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-5-14(6-2,13(16)17)18-21(19,20)12-9(3)7-11(15)8-10(12)4/h7-8,18H,5-6H2,1-4H3,(H3,16,17).
What are the key properties of 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide?
2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide has a molecular weight of 315.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide is sourced from PubChem (CID 107329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).