3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide

C22H22N2O6S2 — CID 55827287

IUPAC3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H22N2O6S2/c1-30-21-12-11-18(14-20(21)24-31(2,26)27)23-22(25)17-8-6-7-16(13-17)15-32(28,29)19-9-4-3-5-10-19/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyPWYKXLNVAYAJDB-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.29
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide

3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide (PubChem CID 55827287) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
PubChem CID55827287
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H22N2O6S2/c1-30-21-12-11-18(14-20(21)24-31(2,26)27)23-22(25)17-8-6-7-16(13-17)15-32(28,29)19-9-4-3-5-10-19/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyPWYKXLNVAYAJDB-UHFFFAOYSA-N
XLogP3.29
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 55770768
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 55776645
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide (CID 55827287) is 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide?
The InChIKey is PWYKXLNVAYAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-30-21-12-11-18(14-20(21)24-31(2,26)27)23-22(25)17-8-6-7-16(13-17)15-32(28,29)19-9-4-3-5-10-19/h3-14,24H,15H2,1-2H3,(H,23,25).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide?
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 55827287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).