4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide

C14H16N2O5S2 — CID 26527057

IUPAC4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O5S2/c1-21-12-4-2-11(3-5-12)10-16-23(19,20)14-8-6-13(7-9-14)22(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyHDOXHNGTNSUTEY-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.82
Rot. Bonds6

About 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide

4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide (PubChem CID 26527057) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
PubChem CID26527057
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Name4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O5S2/c1-21-12-4-2-11(3-5-12)10-16-23(19,20)14-8-6-13(7-9-14)22(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyHDOXHNGTNSUTEY-UHFFFAOYSA-N
XLogP0.82
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide 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-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide (CID 26527057) is 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide?
The InChIKey is HDOXHNGTNSUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-21-12-4-2-11(3-5-12)10-16-23(19,20)14-8-6-13(7-9-14)22(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide?
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide has a molecular weight of 356.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 26527057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).