N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide

C26H24N2O4S2 — CID 1381655

IUPACN-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H24N2O4S2/c29-33(30,27-19-21-7-3-1-4-8-21)25-15-11-23(12-16-25)24-13-17-26(18-14-24)34(31,32)28-20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2
InChIKeySGQYPBRJSQEDHI-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.31
Rot. Bonds9

About N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide

N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 1381655) has the molecular formula C26H24N2O4S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID1381655
Molecular FormulaC26H24N2O4S2
Molecular Weight492.62 g/mol
Exact Mass492.12
IUPAC NameN-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H24N2O4S2/c29-33(30,27-19-21-7-3-1-4-8-21)25-15-11-23(12-16-25)24-13-17-26(18-14-24)34(31,32)28-20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2
InChIKeySGQYPBRJSQEDHI-UHFFFAOYSA-N
XLogP4.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide (CID 1381655) is N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is SGQYPBRJSQEDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2/c29-33(30,27-19-21-7-3-1-4-8-21)25-15-11-23(12-16-25)24-13-17-26(18-14-24)34(31,32)28-20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2.
What are the key properties of N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide?
N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 492.62 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(benzylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1381655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).