N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide

C11H16N2O5S — CID 106339701

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H16N2O5S/c1-13(2)19(17,18)7-6-12-11(16)8-4-3-5-9(14)10(8)15/h3-5,14-15H,6-7H2,1-2H3,(H,12,16)
InChIKeyVNXGMIHYKLUOPV-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.28
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide

N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide (PubChem CID 106339701) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
PubChem CID106339701
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H16N2O5S/c1-13(2)19(17,18)7-6-12-11(16)8-4-3-5-9(14)10(8)15/h3-5,14-15H,6-7H2,1-2H3,(H,12,16)
InChIKeyVNXGMIHYKLUOPV-UHFFFAOYSA-N
XLogP-0.28
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
CID 46993368

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide (CID 106339701) is N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide is CN(C)S(=O)(=O)CCNC(=O)c1cccc(O)c1O.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide?
The InChIKey is VNXGMIHYKLUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-13(2)19(17,18)7-6-12-11(16)8-4-3-5-9(14)10(8)15/h3-5,14-15H,6-7H2,1-2H3,(H,12,16).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide?
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide has a molecular weight of 288.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 106339701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).