[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate

C18H20N2O5S — CID 118010067

IUPAC[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2/C=N/O)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+
InChIKeyOXSUHSQWSLABCN-XDHOZWIPSA-N
MW376.43 g/mol
LogP3.25
Rot. Bonds5

About [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate

[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 118010067) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID118010067
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2/C=N/O)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+
InChIKeyOXSUHSQWSLABCN-XDHOZWIPSA-N
XLogP3.25
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[2-(1-nitrosoethyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 123690199
[4-[[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 10225728
sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
CID 22992413
2-[[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]phenyl]-hydroxymethyl]amino]acetic acid
CID 170404596
3-[4-[(2-formylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174843363
N-[2-[[3-hydroxy-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]propyl]iminomethyl]phenyl]-4-methylbenzenesulfonamide
CID 167530631
4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide
CID 101033192
4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244
4-methyl-N-[2-[[4-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]methyl]phenyl]methyliminomethyl]phenyl]benzenesulfonamide
CID 102386798
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-[2-[2-(1-hydroxypyridin-1-ium-4-yl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 170920269
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate (CID 118010067) is [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2/C=N/O)cc1.
What is the InChIKey of [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is OXSUHSQWSLABCN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+.
What are the key properties of [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate?
[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 376.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118010067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).