3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

C15H17N3O4S — CID 25237445

IUPAC3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-10,18H,1-3H3/b17-11-
InChIKeyYTKCKZKVBCFFKR-BOPFTXTBSA-N
MW335.39 g/mol
LogP1.80
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (PubChem CID 25237445) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
PubChem CID25237445
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-10,18H,1-3H3/b17-11-
InChIKeyYTKCKZKVBCFFKR-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

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
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
2,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237439
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 817443
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide (CID 25237445) is 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
The InChIKey is YTKCKZKVBCFFKR-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11(12-6-8-16-9-7-12)17-18-23(19,20)13-4-5-14(21-2)15(10-13)22-3/h4-10,18H,1-3H3/b17-11-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide?
3,4-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 3,4-dimethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).