4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide

C15H15NO5S — CID 66767279

IUPAC4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-12-7-9-14(10-8-12)21-13-5-3-11(4-6-13)15(17)16-22(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyRJCIQOVTPWSTBH-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.18
Rot. Bonds5

About 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide

4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide (PubChem CID 66767279) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
PubChem CID66767279
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-12-7-9-14(10-8-12)21-13-5-3-11(4-6-13)15(17)16-22(2,18)19/h3-10H,1-2H3,(H,16,17)
InChIKeyRJCIQOVTPWSTBH-UHFFFAOYSA-N
XLogP2.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylsulfonyl-4-naphthalen-2-yloxybenzamide
CID 66767288
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide
CID 66767113
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
2-[4-(4-methoxyphenoxy)phenyl]sulfanylbenzoic acid;2-[4-(4-methoxyphenoxy)phenyl]sulfanyl-N-methylsulfonylbenzamide
CID 158649710
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide (CID 66767279) is 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide is COc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide?
The InChIKey is RJCIQOVTPWSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-12-7-9-14(10-8-12)21-13-5-3-11(4-6-13)15(17)16-22(2,18)19/h3-10H,1-2H3,(H,16,17).
What are the key properties of 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide?
4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide has a molecular weight of 321.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide is sourced from PubChem (CID 66767279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).