[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate

C15H15N3O4S — CID 53243731

IUPAC[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(\N)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11(19)22-17-15(16)12-7-9-14(10-8-12)23(20,21)18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H2,16,17)
InChIKeyQVZBAWLGNZDJRM-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.67
Rot. Bonds5

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

[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate (PubChem CID 53243731) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
PubChem CID53243731
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(\N)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-11(19)22-17-15(16)12-7-9-14(10-8-12)23(20,21)18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H2,16,17)
InChIKeyQVZBAWLGNZDJRM-UHFFFAOYSA-N
XLogP1.67
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
CID 53243732
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
4-(phenylsulfamoyl)benzoate
CID 6997297
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate?
The IUPAC name of [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate (CID 53243731) is [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate.
What is the SMILES notation for [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate?
The canonical SMILES for [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate is CC(=O)O/N=C(\N)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate?
The InChIKey is QVZBAWLGNZDJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-11(19)22-17-15(16)12-7-9-14(10-8-12)23(20,21)18-13-5-3-2-4-6-13/h2-10,18H,1H3,(H2,16,17).
What are the key properties of [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate?
[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate has a molecular weight of 333.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate is sourced from PubChem (CID 53243731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).