4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C17H14F2N2O4S2 — CID 35996706

IUPAC4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2c1
InChIInChI=1S/C17H14F2N2O4S2/c1-2-25-11-5-8-13-14(9-11)26-17(20-13)21-15(22)10-3-6-12(7-4-10)27(23,24)16(18)19/h3-9,16H,2H2,1H3,(H,20,21,22)
InChIKeyMRWVWOHTDAELOD-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.94
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 35996706) has the molecular formula C17H14F2N2O4S2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID35996706
Molecular FormulaC17H14F2N2O4S2
Molecular Weight412.44 g/mol
Exact Mass412.04
IUPAC Name4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2c1
InChIInChI=1S/C17H14F2N2O4S2/c1-2-25-11-5-8-13-14(9-11)26-17(20-13)21-15(22)10-3-6-12(7-4-10)27(23,24)16(18)19/h3-9,16H,2H2,1H3,(H,20,21,22)
InChIKeyMRWVWOHTDAELOD-UHFFFAOYSA-N
XLogP3.94
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide 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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2117790
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 35996706) is 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MRWVWOHTDAELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S2/c1-2-25-11-5-8-13-14(9-11)26-17(20-13)21-15(22)10-3-6-12(7-4-10)27(23,24)16(18)19/h3-9,16H,2H2,1H3,(H,20,21,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 412.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 35996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).