4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide

C15H13F4NO4S — CID 141000162

IUPAC4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(F)c(F)c(OC)c(F)c2F)cc1
InChIInChI=1S/C15H13F4NO4S/c1-23-8-3-5-9(6-4-8)25(21,22)20-7-10-11(16)13(18)15(24-2)14(19)12(10)17/h3-6,20H,7H2,1-2H3
InChIKeyOOVHXBKGOZQKED-UHFFFAOYSA-N
MW379.33 g/mol
LogP2.74
Rot. Bonds6

About 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide

4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 141000162) has the molecular formula C15H13F4NO4S and a molecular weight of 379.33 g/mol. Its IUPAC name is 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID141000162
Molecular FormulaC15H13F4NO4S
Molecular Weight379.33 g/mol
Exact Mass379.05
IUPAC Name4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(F)c(F)c(OC)c(F)c2F)cc1
InChIInChI=1S/C15H13F4NO4S/c1-23-8-3-5-9(6-4-8)25(21,22)20-7-10-11(16)13(18)15(24-2)14(19)12(10)17/h3-6,20H,7H2,1-2H3
InChIKeyOOVHXBKGOZQKED-UHFFFAOYSA-N
XLogP2.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide 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

4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 22771326
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide (CID 141000162) is 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2c(F)c(F)c(OC)c(F)c2F)cc1.
What is the InChIKey of 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is OOVHXBKGOZQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO4S/c1-23-8-3-5-9(6-4-8)25(21,22)20-7-10-11(16)13(18)15(24-2)14(19)12(10)17/h3-6,20H,7H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide?
4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 379.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 141000162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).