[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium

C17H22N3O4S+ — CID 7197549

IUPAC[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(S(=O)(=O)N/C(N)=[NH+]/CCc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-7-9-15(10-8-14)25(21,22)20-17(18)19-12-11-13-5-3-4-6-16(13)24-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)/p+1
InChIKeyZCEPROMFKOZKPK-UHFFFAOYSA-O
MW364.45 g/mol
LogP-0.38
Rot. Bonds7

About [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium

[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 7197549) has the molecular formula C17H22N3O4S+ and a molecular weight of 364.45 g/mol. Its IUPAC name is [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID7197549
Molecular FormulaC17H22N3O4S+
Molecular Weight364.45 g/mol
Exact Mass364.13
IUPAC Name[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(S(=O)(=O)N/C(N)=[NH+]/CCc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-7-9-15(10-8-14)25(21,22)20-17(18)19-12-11-13-5-3-4-6-16(13)24-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)/p+1
InChIKeyZCEPROMFKOZKPK-UHFFFAOYSA-O
XLogP-0.38
TPSA104.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
CID 7197527
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
CID 44586473
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961

Frequently Asked Questions

What is the IUPAC name of [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium (CID 7197549) is [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccc(S(=O)(=O)N/C(N)=[NH+]/CCc2ccccc2OC)cc1.
What is the InChIKey of [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is ZCEPROMFKOZKPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O4S/c1-23-14-7-9-15(10-8-14)25(21,22)20-17(18)19-12-11-13-5-3-4-6-16(13)24-2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)/p+1.
What are the key properties of [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium?
[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 364.45 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(4-methoxyphenyl)sulfonylamino]methylidene]-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 7197549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).