(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride

C10H12FNO5S — CID 163366457

IUPAC(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
SMILESCOc1cc(OC)c(/C=N/S(=O)(=O)F)c(OC)c1
InChIInChI=1S/C10H12FNO5S/c1-15-7-4-9(16-2)8(10(5-7)17-3)6-12-18(11,13)14/h4-6H,1-3H3/b12-6+
InChIKeyOHQOXPAJCJESFF-WUXMJOGZSA-N
MW277.27 g/mol
LogP1.35
Rot. Bonds5

About (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride

(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride (PubChem CID 163366457) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride.

Molecular Properties

Compound Name(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
PubChem CID163366457
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
SMILESCOc1cc(OC)c(/C=N/S(=O)(=O)F)c(OC)c1
InChIInChI=1S/C10H12FNO5S/c1-15-7-4-9(16-2)8(10(5-7)17-3)6-12-18(11,13)14/h4-6H,1-3H3/b12-6+
InChIKeyOHQOXPAJCJESFF-WUXMJOGZSA-N
XLogP1.35
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
CID 10562827
(NE)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methylidene]propane-2-sulfinamide
CID 135023920
CID 101022784
CID 101022784
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
1,1-diamino-N-[(2,4,6-trimethoxyphenyl)methylideneamino]methanimine oxide
CID 173236616
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
(2E,5E)-2,5-bis[(2,4,6-trimethoxyphenyl)methylidene]cyclopentan-1-one
CID 46886189
[(2,4,6-trimethoxyphenyl)methylideneamino] cyclopropanecarboxylate
CID 85273118
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
2-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3,5-trimethoxybenzene
CID 79321825
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride?
The IUPAC name of (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride (CID 163366457) is (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride.
What is the SMILES notation for (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride?
The canonical SMILES for (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride is COc1cc(OC)c(/C=N/S(=O)(=O)F)c(OC)c1.
What is the InChIKey of (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride?
The InChIKey is OHQOXPAJCJESFF-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12FNO5S/c1-15-7-4-9(16-2)8(10(5-7)17-3)6-12-18(11,13)14/h4-6H,1-3H3/b12-6+.
What are the key properties of (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride?
(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride has a molecular weight of 277.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride is sourced from PubChem (CID 163366457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).