4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide

C22H22N2O5S2 — CID 55947241

IUPAC4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-30(26,27)16-18-9-7-17(8-10-18)15-23-22(25)19-11-13-20(14-12-19)24-31(28,29)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyZBBSCHPUBKWQRB-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.96
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide

4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide (PubChem CID 55947241) has the molecular formula C22H22N2O5S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
PubChem CID55947241
Molecular FormulaC22H22N2O5S2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-30(26,27)16-18-9-7-17(8-10-18)15-23-22(25)19-11-13-20(14-12-19)24-31(28,29)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyZBBSCHPUBKWQRB-UHFFFAOYSA-N
XLogP2.96
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide (CID 55947241) is 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide is CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The InChIKey is ZBBSCHPUBKWQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S2/c1-30(26,27)16-18-9-7-17(8-10-18)15-23-22(25)19-11-13-20(14-12-19)24-31(28,29)21-5-3-2-4-6-21/h2-14,24H,15-16H2,1H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55947241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).