(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol

C21H19NO3S — CID 10316777

IUPAC(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol
SMILESNC(/C(=C(\O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c22-19(16-10-4-1-5-11-16)21(20(23)17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15,19,23H,22H2/b21-20+
InChIKeyGPOLQKKKXHMFMA-QZQOTICOSA-N
MW365.45 g/mol
LogP4.09
Rot. Bonds5

About (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol

(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol (PubChem CID 10316777) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol
PubChem CID10316777
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol
SMILESNC(/C(=C(\O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c22-19(16-10-4-1-5-11-16)21(20(23)17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15,19,23H,22H2/b21-20+
InChIKeyGPOLQKKKXHMFMA-QZQOTICOSA-N
XLogP4.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzenesulfonyl 2-amino-2-phenylacetate
CID 88833144
CID 172809734
CID 172809734
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
phenylmethanediamine;sulfuric acid
CID 173298028
(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
CID 134090409
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
benzenesulfonyl(phenyl)methanol
CID 174895803
2-amino-N-[amino(phenyl)methylidene]-2-phenylacetamide
CID 121264672
[benzenesulfonyl(diazo)methyl]benzene
CID 15258201

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol?
The IUPAC name of (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol (CID 10316777) is (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol.
What is the SMILES notation for (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol?
The canonical SMILES for (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol is NC(/C(=C(\O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol?
The InChIKey is GPOLQKKKXHMFMA-QZQOTICOSA-N. The full InChI is InChI=1S/C21H19NO3S/c22-19(16-10-4-1-5-11-16)21(20(23)17-12-6-2-7-13-17)26(24,25)18-14-8-3-9-15-18/h1-15,19,23H,22H2/b21-20+.
What are the key properties of (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol?
(E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol has a molecular weight of 365.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-(benzenesulfonyl)-1,3-diphenylprop-1-en-1-ol is sourced from PubChem (CID 10316777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).