2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide

C9H12FN3O2S — CID 99975396

IUPAC2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
SMILES[H]/N=C(\N)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C9H12FN3O2S/c1-16(14,15)13(6-9(11)12)8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H3,11,12)
InChIKeyIXFLCLHZXWSWKC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.53
Rot. Bonds4

About 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide

2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide (PubChem CID 99975396) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
PubChem CID99975396
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
SMILES[H]/N=C(\N)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C9H12FN3O2S/c1-16(14,15)13(6-9(11)12)8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H3,11,12)
InChIKeyIXFLCLHZXWSWKC-UHFFFAOYSA-N
XLogP0.53
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
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

N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
2-[(3-fluoro-2-pyridinyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 103308750

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide (CID 99975396) is 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide is [H]/N=C(\N)CN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide?
The InChIKey is IXFLCLHZXWSWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c1-16(14,15)13(6-9(11)12)8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H3,11,12).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide?
2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide has a molecular weight of 245.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide is sourced from PubChem (CID 99975396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).