2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide

C15H19N3O5S2 — CID 122152668

IUPAC2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C15H19N3O5S2/c1-18(10-11-23-2)25(21,22)15-8-4-3-7-14(15)24(19,20)17-13-6-5-9-16-12-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyNODOSGCGMVJXDM-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.15
Rot. Bonds8

About 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide

2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide (PubChem CID 122152668) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
PubChem CID122152668
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C15H19N3O5S2/c1-18(10-11-23-2)25(21,22)15-8-4-3-7-14(15)24(19,20)17-13-6-5-9-16-12-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyNODOSGCGMVJXDM-UHFFFAOYSA-N
XLogP1.15
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide
CID 122152661
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 114264309
N',N'-bis(2-methoxyethyl)-N-pyridin-3-ylethane-1,2-diamine
CID 67897474
4-methoxy-N-(2-methoxyethyl)-3-(pyridin-3-ylsulfamoyl)benzamide
CID 56684218
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924259
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide (CID 122152668) is 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide is COCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide?
The InChIKey is NODOSGCGMVJXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-18(10-11-23-2)25(21,22)15-8-4-3-7-14(15)24(19,20)17-13-6-5-9-16-12-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide?
2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide has a molecular weight of 385.47 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide is sourced from PubChem (CID 122152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).