3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide

C23H24N2O5S2 — CID 17310164

IUPAC3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-25(18-19-8-4-2-5-9-19)32(29,30)22-14-12-20(13-15-22)24-23(26)16-17-31(27,28)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyALKZTTCDVLYKFM-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.31
Rot. Bonds9

About 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide

3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide (PubChem CID 17310164) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
PubChem CID17310164
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-25(18-19-8-4-2-5-9-19)32(29,30)22-14-12-20(13-15-22)24-23(26)16-17-31(27,28)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,24,26)
InChIKeyALKZTTCDVLYKFM-UHFFFAOYSA-N
XLogP3.31
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
CID 1025638
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide (CID 17310164) is 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide?
The InChIKey is ALKZTTCDVLYKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-25(18-19-8-4-2-5-9-19)32(29,30)22-14-12-20(13-15-22)24-23(26)16-17-31(27,28)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,24,26).
What are the key properties of 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide?
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide has a molecular weight of 472.59 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 17310164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).