N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide

C16H17NO4S — CID 33099883

IUPACN-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
SMILESCOCc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C16H17NO4S/c1-21-11-12-5-3-7-14(9-12)17-16(18)13-6-4-8-15(10-13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyIQDXSFIUYSPBDP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.49
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide

N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide (PubChem CID 33099883) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
PubChem CID33099883
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
SMILESCOCc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C16H17NO4S/c1-21-11-12-5-3-7-14(9-12)17-16(18)13-6-4-8-15(10-13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyIQDXSFIUYSPBDP-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide (CID 33099883) is N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide is COCc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide?
The InChIKey is IQDXSFIUYSPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-11-12-5-3-7-14(9-12)17-16(18)13-6-4-8-15(10-13)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide?
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide has a molecular weight of 319.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 33099883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).