(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium

C19H19N4O5S+ — CID 11080177

IUPAC(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium
SMILESCc1ccc(S(=O)(=O)NC(/C([N+]#N)=C(\O)N2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N4O5S/c1-13-7-9-15(10-8-13)29(26,27)22-16(14-5-3-2-4-6-14)17(21-20)18(24)23-11-12-28-19(23)25/h2-10,16,22H,11-12H2,1H3/p+1/b18-17+
InChIKeyCEIWZSXMSQRLAJ-ISLYRVAYSA-O
MW415.45 g/mol
LogP3.05
Rot. Bonds6

About (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium

(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium (PubChem CID 11080177) has the molecular formula C19H19N4O5S+ and a molecular weight of 415.45 g/mol. Its IUPAC name is (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium.

Molecular Properties

Compound Name(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium
PubChem CID11080177
Molecular FormulaC19H19N4O5S+
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium
SMILESCc1ccc(S(=O)(=O)NC(/C([N+]#N)=C(\O)N2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N4O5S/c1-13-7-9-15(10-8-13)29(26,27)22-16(14-5-3-2-4-6-14)17(21-20)18(24)23-11-12-28-19(23)25/h2-10,16,22H,11-12H2,1H3/p+1/b18-17+
InChIKeyCEIWZSXMSQRLAJ-ISLYRVAYSA-O
XLogP3.05
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium?
The IUPAC name of (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium (CID 11080177) is (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium.
What is the SMILES notation for (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium?
The canonical SMILES for (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium is Cc1ccc(S(=O)(=O)NC(/C([N+]#N)=C(\O)N2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium?
The InChIKey is CEIWZSXMSQRLAJ-ISLYRVAYSA-O. The full InChI is InChI=1S/C19H18N4O5S/c1-13-7-9-15(10-8-13)29(26,27)22-16(14-5-3-2-4-6-14)17(21-20)18(24)23-11-12-28-19(23)25/h2-10,16,22H,11-12H2,1H3/p+1/b18-17+.
What are the key properties of (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium?
(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium has a molecular weight of 415.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium is sourced from PubChem (CID 11080177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).