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

C15H19N3O5S2 — CID 122152661

IUPAC3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H19N3O5S2/c1-18(9-10-23-2)25(21,22)15-7-3-6-14(11-15)24(19,20)17-13-5-4-8-16-12-13/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyNGCQYWXCZQAQSG-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.15
Rot. Bonds8

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

3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide (PubChem CID 122152661) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide
PubChem CID122152661
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H19N3O5S2/c1-18(9-10-23-2)25(21,22)15-7-3-6-14(11-15)24(19,20)17-13-5-4-8-16-12-13/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyNGCQYWXCZQAQSG-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

2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
CID 122152668
N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572860
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
N-(2-methoxyethyl)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140900815
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
CID 60823189
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
4-N-(2-methoxyethyl)-4-N-methyl-1-N-(1,3-thiazol-2-yl)benzene-1,4-disulfonamide
CID 91648877
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide (CID 122152661) is 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide is COCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide?
The InChIKey is NGCQYWXCZQAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-18(9-10-23-2)25(21,22)15-7-3-6-14(11-15)24(19,20)17-13-5-4-8-16-12-13/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide?
3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-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 3-N-(2-methoxyethyl)-3-N-methyl-1-N-pyridin-3-ylbenzene-1,3-disulfonamide is sourced from PubChem (CID 122152661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).