N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide

C14H11F2NO2S — CID 71417577

IUPACN-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccc(F)c2F)cc1
InChIInChI=1S/C14H11F2NO2S/c1-10-5-7-12(8-6-10)20(18,19)17-9-11-3-2-4-13(15)14(11)16/h2-9H,1H3
InChIKeyAARSYCMQVQVYNE-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.08
Rot. Bonds3

About N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide

N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 71417577) has the molecular formula C14H11F2NO2S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID71417577
Molecular FormulaC14H11F2NO2S
Molecular Weight295.31 g/mol
Exact Mass295.05
IUPAC NameN-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccc(F)c2F)cc1
InChIInChI=1S/C14H11F2NO2S/c1-10-5-7-12(8-6-10)20(18,19)17-9-11-3-2-4-13(15)14(11)16/h2-9H,1H3
InChIKeyAARSYCMQVQVYNE-UHFFFAOYSA-N
XLogP3.08
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.08
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 N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide (CID 71417577) is N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2cccc(F)c2F)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is AARSYCMQVQVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2S/c1-10-5-7-12(8-6-10)20(18,19)17-9-11-3-2-4-13(15)14(11)16/h2-9H,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide?
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71417577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).