3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide

C23H24N2O5S2 — CID 55948380

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-17-6-12-21(13-7-17)25-32(29,30)22-5-3-4-20(14-22)23(26)24-15-18-8-10-19(11-9-18)16-31(2,27)28/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyWXNMSELZHRYURD-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.27
Rot. Bonds8

About 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide

3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide (PubChem CID 55948380) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
PubChem CID55948380
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-17-6-12-21(13-7-17)25-32(29,30)22-5-3-4-20(14-22)23(26)24-15-18-8-10-19(11-9-18)16-31(2,27)28/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyWXNMSELZHRYURD-UHFFFAOYSA-N
XLogP3.27
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide (CID 55948380) is 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
The InChIKey is WXNMSELZHRYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-17-6-12-21(13-7-17)25-32(29,30)22-5-3-4-20(14-22)23(26)24-15-18-8-10-19(11-9-18)16-31(2,27)28/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide?
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55948380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).