N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide

C11H17N3O3S — CID 5477861

IUPACN-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\CN(C)C)cc1
InChIInChI=1S/C11H17N3O3S/c1-14(2)9-8-12-13-18(15,16)11-6-4-10(17-3)5-7-11/h4-8,13H,9H2,1-3H3/b12-8-
InChIKeyYUSPOTSUCBYZIR-WQLSENKSSA-N
MW271.34 g/mol
LogP0.52
Rot. Bonds6

About N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 5477861) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID5477861
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\CN(C)C)cc1
InChIInChI=1S/C11H17N3O3S/c1-14(2)9-8-12-13-18(15,16)11-6-4-10(17-3)5-7-11/h4-8,13H,9H2,1-3H3/b12-8-
InChIKeyYUSPOTSUCBYZIR-WQLSENKSSA-N
XLogP0.52
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
CID 5373444
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5454922
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
CID 136759638
4-methoxy-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 135567679
3-[(E)-[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]azetidine-1-carboxylic acid
CID 174209431
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide (CID 5477861) is N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\CN(C)C)cc1.
What is the InChIKey of N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is YUSPOTSUCBYZIR-WQLSENKSSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14(2)9-8-12-13-18(15,16)11-6-4-10(17-3)5-7-11/h4-8,13H,9H2,1-3H3/b12-8-.
What are the key properties of N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5477861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).