(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

C14H12FNO3S — CID 137313588

IUPAC(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccc(F)cc2O)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-2-6-13(7-3-10)20(18,19)16-9-11-4-5-12(15)8-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyNSFPHOILTJHZRQ-CXUHLZMHSA-N
MW293.32 g/mol
LogP2.65
Rot. Bonds3

About (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 137313588) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID137313588
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C/c2ccc(F)cc2O)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-2-6-13(7-3-10)20(18,19)16-9-11-4-5-12(15)8-14(11)17/h2-9,17H,1H3/b16-9+
InChIKeyNSFPHOILTJHZRQ-CXUHLZMHSA-N
XLogP2.65
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 137313588) is (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C/c2ccc(F)cc2O)cc1.
What is the InChIKey of (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is NSFPHOILTJHZRQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-10-2-6-13(7-3-10)20(18,19)16-9-11-4-5-12(15)8-14(11)17/h2-9,17H,1H3/b16-9+.
What are the key properties of (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-fluoro-2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 137313588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).