2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide

C21H18ClNO4S — CID 9071253

IUPAC2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClNO4S/c1-28(25,26)18-6-4-5-17(13-18)23-21(24)19-7-2-3-8-20(19)27-14-15-9-11-16(22)12-10-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyIGSCDLQMROYTOW-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.57
Rot. Bonds6

About 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide

2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 9071253) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
PubChem CID9071253
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClNO4S/c1-28(25,26)18-6-4-5-17(13-18)23-21(24)19-7-2-3-8-20(19)27-14-15-9-11-16(22)12-10-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyIGSCDLQMROYTOW-UHFFFAOYSA-N
XLogP4.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2120385
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
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N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide (CID 9071253) is 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is IGSCDLQMROYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c1-28(25,26)18-6-4-5-17(13-18)23-21(24)19-7-2-3-8-20(19)27-14-15-9-11-16(22)12-10-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide?
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 9071253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).