3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide

C22H20ClNO5S — CID 55770768

IUPAC3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClNO5S/c1-28-20-13-21(29-2)19(12-18(20)23)24-22(25)16-8-6-7-15(11-16)14-30(26,27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyHOOBKHWULPWZOO-UHFFFAOYSA-N
MW445.92 g/mol
LogP4.58
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide

3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide (PubChem CID 55770768) has the molecular formula C22H20ClNO5S and a molecular weight of 445.92 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
PubChem CID55770768
Molecular FormulaC22H20ClNO5S
Molecular Weight445.92 g/mol
Exact Mass445.08
IUPAC Name3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClNO5S/c1-28-20-13-21(29-2)19(12-18(20)23)24-22(25)16-8-6-7-15(11-16)14-30(26,27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyHOOBKHWULPWZOO-UHFFFAOYSA-N
XLogP4.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9162789
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 36542869
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide (CID 55770768) is 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide is COc1cc(OC)c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1Cl.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide?
The InChIKey is HOOBKHWULPWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5S/c1-28-20-13-21(29-2)19(12-18(20)23)24-22(25)16-8-6-7-15(11-16)14-30(26,27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide?
3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide has a molecular weight of 445.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 55770768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).