3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide

C17H14FN3O3S2 — CID 118987403

IUPAC3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2cccc(F)c2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-
InChIKeyWDIKQDARDCJMNH-JZJYNLBNSA-N
MW391.45 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide

3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 118987403) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID118987403
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC Name3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2cccc(F)c2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-
InChIKeyWDIKQDARDCJMNH-JZJYNLBNSA-N
XLogP2.37
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide (CID 118987403) is 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide is Cc1cs/c(=N\C(=O)c2cccc(F)c2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is WDIKQDARDCJMNH-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c1-11-10-25-17(20-16(22)12-3-2-4-13(18)9-12)21(11)14-5-7-15(8-6-14)26(19,23)24/h2-10H,1H3,(H2,19,23,24)/b20-17-.
What are the key properties of 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide?
3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 391.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 118987403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).