2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

C15H17N3O4S — CID 25237439

IUPAC2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)c(OC)c1
InChIInChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)15-5-4-13(21-2)10-14(15)22-3/h4-10,18H,1-3H3/b17-11-
InChIKeyJMRUKRZGOCBPFA-BOPFTXTBSA-N
MW335.39 g/mol
LogP1.80
Rot. Bonds6

About 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (PubChem CID 25237439) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
PubChem CID25237439
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)c(OC)c1
InChIInChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)15-5-4-13(21-2)10-14(15)22-3/h4-10,18H,1-3H3/b17-11-
InChIKeyJMRUKRZGOCBPFA-BOPFTXTBSA-N
XLogP1.80
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488
3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 870239
[(4-Methoxyphenyl)sulfonyl](2-(2-pyridyl)ethyl)amine
CID 2479319
3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}propyl)oxy]-5-methylphenyl pyridine-3-sulfonate
CID 44352000
2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581268
4-Fluoro-2-methoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1106582

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (CID 25237439) is 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The InChIKey is JMRUKRZGOCBPFA-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)15-5-4-13(21-2)10-14(15)22-3/h4-10,18H,1-3H3/b17-11-.
What are the key properties of 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).