3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide

C11H14N2O4S — CID 175689672

IUPAC3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide
SMILESCS(=O)(=O)CCc1cccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)6-5-7-3-2-4-8(10(12)14)9(7)11(13)15/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyRUMGOPSKCXEBTP-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.53
Rot. Bonds5

About 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide

3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide (PubChem CID 175689672) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide
PubChem CID175689672
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide
SMILESCS(=O)(=O)CCc1cccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)6-5-7-3-2-4-8(10(12)14)9(7)11(13)15/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyRUMGOPSKCXEBTP-UHFFFAOYSA-N
XLogP-0.53
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-butyl-2-sulfamoylbenzamide
CID 122670193
2-amino-3-(2-methylsulfonylethylamino)benzamide
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2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-(methanesulfonamidomethyl)benzamide
CID 69038851
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-(2-methylsulfonylethyl)benzenethiol
CID 54155278
2-methyl-3-propylbenzamide
CID 66693156
benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide (CID 175689672) is 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide is CS(=O)(=O)CCc1cccc(C(N)=O)c1C(N)=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide?
The InChIKey is RUMGOPSKCXEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(16,17)6-5-7-3-2-4-8(10(12)14)9(7)11(13)15/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide?
3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide has a molecular weight of 270.31 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 175689672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).