(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride

C10H10ClFN2O2S — CID 88855463

IUPAC(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\N)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFN2O2S/c11-10(14)5-8(13)6-17(15,16)9-3-1-7(12)2-4-9/h1-5,14H,6,13H2/b8-5-,14-10-
InChIKeyPHUMURCXWIZJMR-BKBRFSGCSA-N
MW276.72 g/mol
LogP1.66
Rot. Bonds4

About (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride

(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride (PubChem CID 88855463) has the molecular formula C10H10ClFN2O2S and a molecular weight of 276.72 g/mol. Its IUPAC name is (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride
PubChem CID88855463
Molecular FormulaC10H10ClFN2O2S
Molecular Weight276.72 g/mol
Exact Mass276.01
IUPAC Name(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\N)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10ClFN2O2S/c11-10(14)5-8(13)6-17(15,16)9-3-1-7(12)2-4-9/h1-5,14H,6,13H2/b8-5-,14-10-
InChIKeyPHUMURCXWIZJMR-BKBRFSGCSA-N
XLogP1.66
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride (CID 88855463) is (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(\N)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride?
The InChIKey is PHUMURCXWIZJMR-BKBRFSGCSA-N. The full InChI is InChI=1S/C10H10ClFN2O2S/c11-10(14)5-8(13)6-17(15,16)9-3-1-7(12)2-4-9/h1-5,14H,6,13H2/b8-5-,14-10-.
What are the key properties of (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride?
(Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride has a molecular weight of 276.72 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-(4-fluorophenyl)sulfonylbut-2-enimidoyl chloride is sourced from PubChem (CID 88855463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).