(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide

C11H14FNO2S — CID 135035056

IUPAC(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyUCLKPEFXGXXTEM-MDWZMJQESA-N
MW243.30 g/mol
LogP2.37
Rot. Bonds2

About (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide

(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide (PubChem CID 135035056) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
PubChem CID135035056
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyUCLKPEFXGXXTEM-MDWZMJQESA-N
XLogP2.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide?
The IUPAC name of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide (CID 135035056) is (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide?
The canonical SMILES for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)/N=C/c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide?
The InChIKey is UCLKPEFXGXXTEM-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+.
What are the key properties of (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide?
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide has a molecular weight of 243.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 135035056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).