N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide

C11H16N2O6S2 — CID 65375749

IUPACN-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(C)(=O)=O)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O6S2/c1-19-4-3-13-11(14)8-5-9(20(2,15)16)7-10(6-8)21(12,17)18/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyWEKJRSYDVVIMEG-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.89
Rot. Bonds6

About N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide

N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide (PubChem CID 65375749) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
PubChem CID65375749
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC NameN-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(C)(=O)=O)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O6S2/c1-19-4-3-13-11(14)8-5-9(20(2,15)16)7-10(6-8)21(12,17)18/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyWEKJRSYDVVIMEG-UHFFFAOYSA-N
XLogP-0.89
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
N-(3-methoxypropyl)-3-nitro-5-sulfamoylbenzamide
CID 65375776
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfonylbenzamide
CID 114464857
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-amino-N-(2-methylsulfanylethyl)-5-methylsulfonylbenzamide
CID 63983246
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide (CID 65375749) is N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(C)(=O)=O)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide?
The InChIKey is WEKJRSYDVVIMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-19-4-3-13-11(14)8-5-9(20(2,15)16)7-10(6-8)21(12,17)18/h5-7H,3-4H2,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide?
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide has a molecular weight of 336.39 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).