1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide

C34H30N4O6S2 — CID 4929117

IUPAC1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N4O6S2/c39-33(37-29-15-19-31(20-16-29)45(41,42)35-23-25-7-3-1-4-8-25)27-11-13-28(14-12-27)34(40)38-30-17-21-32(22-18-30)46(43,44)36-24-26-9-5-2-6-10-26/h1-22,35-36H,23-24H2,(H,37,39)(H,38,40)
InChIKeyHWWCEFYZDFLJIJ-UHFFFAOYSA-N
MW654.77 g/mol
LogP5.15
Rot. Bonds12

About 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 4929117) has the molecular formula C34H30N4O6S2 and a molecular weight of 654.77 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID4929117
Molecular FormulaC34H30N4O6S2
Molecular Weight654.77 g/mol
Exact Mass654.16
IUPAC Name1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N4O6S2/c39-33(37-29-15-19-31(20-16-29)45(41,42)35-23-25-7-3-1-4-8-25)27-11-13-28(14-12-27)34(40)38-30-17-21-32(22-18-30)46(43,44)36-24-26-9-5-2-6-10-26/h1-22,35-36H,23-24H2,(H,37,39)(H,38,40)
InChIKeyHWWCEFYZDFLJIJ-UHFFFAOYSA-N
XLogP5.15
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 4929080
4-(benzylsulfamoyl)benzoate
CID 4743721
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide (CID 4929117) is 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is HWWCEFYZDFLJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O6S2/c39-33(37-29-15-19-31(20-16-29)45(41,42)35-23-25-7-3-1-4-8-25)27-11-13-28(14-12-27)34(40)38-30-17-21-32(22-18-30)46(43,44)36-24-26-9-5-2-6-10-26/h1-22,35-36H,23-24H2,(H,37,39)(H,38,40).
What are the key properties of 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 654.77 g/mol, XLogP of 5.15, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).