1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide

C15H19N3O5S2 — CID 75510839

IUPAC1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide
SMILESCOCCCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H19N3O5S2/c1-23-11-5-10-17-24(19,20)13-6-4-7-14(12-13)25(21,22)18-15-8-2-3-9-16-15/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,16,18)
InChIKeyJDLWHFWKGXWLCC-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.20
Rot. Bonds9

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

1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide (PubChem CID 75510839) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide
PubChem CID75510839
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC Name1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide
SMILESCOCCCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H19N3O5S2/c1-23-11-5-10-17-24(19,20)13-6-4-7-14(12-13)25(21,22)18-15-8-2-3-9-16-15/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,16,18)
InChIKeyJDLWHFWKGXWLCC-UHFFFAOYSA-N
XLogP1.20
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.20
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-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
3-N-(3-methylbutan-2-yl)-1-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 86817072
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide?
The IUPAC name of 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide (CID 75510839) is 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide is COCCCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide?
The InChIKey is JDLWHFWKGXWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-23-11-5-10-17-24(19,20)13-6-4-7-14(12-13)25(21,22)18-15-8-2-3-9-16-15/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,16,18).
What are the key properties of 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide?
1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide has a molecular weight of 385.47 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide is sourced from PubChem (CID 75510839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).