3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

C11H16N2O5S2 — CID 65386461

IUPAC3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-8-5-9(7-10(6-8)20(12,17)18)11(14)13-3-4-19(2,15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyQJGIYSLCMZTYGM-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.58
Rot. Bonds5

About 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (PubChem CID 65386461) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
PubChem CID65386461
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-8-5-9(7-10(6-8)20(12,17)18)11(14)13-3-4-19(2,15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyQJGIYSLCMZTYGM-UHFFFAOYSA-N
XLogP-0.58
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 114265071
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
CID 106332827
2,3-dimethyl-5-(2-methylsulfonylethylcarbamoyl)benzenesulfonyl chloride
CID 65370576
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-sulfamoylbenzamide
CID 110678052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (CID 65386461) is 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is Cc1cc(C(=O)NCCS(C)(=O)=O)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The InChIKey is QJGIYSLCMZTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-8-5-9(7-10(6-8)20(12,17)18)11(14)13-3-4-19(2,15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide has a molecular weight of 320.39 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65386461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).