2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide

C11H15N3O4S — CID 67418978

IUPAC2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)5-4-14-9-6-7(10(12)15)2-3-8(9)11(13)16/h2-3,6,14H,4-5H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyALGROMLUNAGEMC-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.66
Rot. Bonds6

About 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide

2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide (PubChem CID 67418978) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
PubChem CID67418978
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)5-4-14-9-6-7(10(12)15)2-3-8(9)11(13)16/h2-3,6,14H,4-5H2,1H3,(H2,12,15)(H2,13,16)
InChIKeyALGROMLUNAGEMC-UHFFFAOYSA-N
XLogP-0.66
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide (CID 67418978) is 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide is CS(=O)(=O)CCNc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide?
The InChIKey is ALGROMLUNAGEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-19(17,18)5-4-14-9-6-7(10(12)15)2-3-8(9)11(13)16/h2-3,6,14H,4-5H2,1H3,(H2,12,15)(H2,13,16).
What are the key properties of 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide?
2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide has a molecular weight of 285.32 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide is sourced from PubChem (CID 67418978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).