[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate

C16H17N3O5S — CID 53243732

IUPAC[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C(N)=N/OC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O5S/c1-11(20)24-18-16(17)12-3-9-15(10-4-12)25(21,22)19-13-5-7-14(23-2)8-6-13/h3-10,19H,1-2H3,(H2,17,18)
InChIKeyVBQJXFCLSXKTAG-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.68
Rot. Bonds6

About [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate

[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate (PubChem CID 53243732) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
PubChem CID53243732
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C(N)=N/OC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O5S/c1-11(20)24-18-16(17)12-3-9-15(10-4-12)25(21,22)19-13-5-7-14(23-2)8-6-13/h3-10,19H,1-2H3,(H2,17,18)
InChIKeyVBQJXFCLSXKTAG-UHFFFAOYSA-N
XLogP1.68
TPSA120.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
CID 53243731
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168602860
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
CID 169366539

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate?
The IUPAC name of [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate (CID 53243732) is [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate.
What is the SMILES notation for [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate?
The canonical SMILES for [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate is COc1ccc(NS(=O)(=O)c2ccc(/C(N)=N/OC(C)=O)cc2)cc1.
What is the InChIKey of [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate?
The InChIKey is VBQJXFCLSXKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11(20)24-18-16(17)12-3-9-15(10-4-12)25(21,22)19-13-5-7-14(23-2)8-6-13/h3-10,19H,1-2H3,(H2,17,18).
What are the key properties of [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate?
[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate has a molecular weight of 363.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate is sourced from PubChem (CID 53243732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).