2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide

C22H22N2O5S2 — CID 3936175

IUPAC2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-24(16-18-8-4-2-5-9-18)31(28,29)21-14-12-19(13-15-21)23-22(25)17-30(26,27)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyZVQQZRQVGKBXFR-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.92
Rot. Bonds8

About 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide

2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 3936175) has the molecular formula C22H22N2O5S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID3936175
Molecular FormulaC22H22N2O5S2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5S2/c1-24(16-18-8-4-2-5-9-18)31(28,29)21-14-12-19(13-15-21)23-22(25)17-30(26,27)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyZVQQZRQVGKBXFR-UHFFFAOYSA-N
XLogP2.92
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
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
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888
[2-[4-[benzyl(methyl)sulfamoyl]anilino]-2-oxoethyl] (E)-but-2-enoate
CID 9080876
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide (CID 3936175) is 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZVQQZRQVGKBXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S2/c1-24(16-18-8-4-2-5-9-18)31(28,29)21-14-12-19(13-15-21)23-22(25)17-30(26,27)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,23,25).
What are the key properties of 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide?
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 458.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3936175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).