N-(methylsulfonylmethyl)benzamide

C9H11NO3S — CID 66878080

IUPACN-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)7-10-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyMLBXCKBPWHMGGG-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.42
Rot. Bonds3

About N-(methylsulfonylmethyl)benzamide

N-(methylsulfonylmethyl)benzamide (PubChem CID 66878080) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(methylsulfonylmethyl)benzamide
PubChem CID66878080
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)7-10-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyMLBXCKBPWHMGGG-UHFFFAOYSA-N
XLogP0.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
CID 157028404
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;sulfuryl dichloride
CID 158851255
N-(nitrosomethyl)benzamide
CID 91609331
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-(ethylsulfamoyl)benzamide
CID 154250118

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(methylsulfonylmethyl)benzamide (CID 66878080) is N-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(methylsulfonylmethyl)benzamide is CS(=O)(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-(methylsulfonylmethyl)benzamide?
The InChIKey is MLBXCKBPWHMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-14(12,13)7-10-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of N-(methylsulfonylmethyl)benzamide?
N-(methylsulfonylmethyl)benzamide has a molecular weight of 213.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 66878080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).