N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine

C16H15NO3S — CID 3723583

IUPACN-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C(C=Cc1ccccc1)C=NO
InChIInChI=1S/C16H15NO3S/c18-17-13-16(12-11-14-7-3-1-4-8-14)21(19,20)15-9-5-2-6-10-15/h1-13,16,18H
InChIKeyRSFXRQKFVUEUFL-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine

N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine (PubChem CID 3723583) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
PubChem CID3723583
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)C(C=Cc1ccccc1)C=NO
InChIInChI=1S/C16H15NO3S/c18-17-13-16(12-11-14-7-3-1-4-8-14)21(19,20)15-9-5-2-6-10-15/h1-13,16,18H
InChIKeyRSFXRQKFVUEUFL-UHFFFAOYSA-N
XLogP3.00
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(E)-2-bromo-4-phenylbut-3-enylidene]hydroxylamine
CID 174684971
[(E,1S)-1-(benzenesulfonyl)-3-phenylprop-2-enyl] acetate
CID 102182706
(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
stilbene;sulfuric acid
CID 67612140
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779
[(E,3S)-3-(benzenesulfonyl)-6-methoxyhex-1-enyl]benzene
CID 155934559
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
3-phenylprop-2-ene-1,1-diol
CID 54432533
[(4Z,6Z)-octa-1,4,6-trien-3-yl]sulfonylbenzene
CID 134219675
octa-2,5-dien-4-ylsulfonylbenzene
CID 71319152
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine?
The IUPAC name of N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine (CID 3723583) is N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine?
The canonical SMILES for N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine is O=S(=O)(c1ccccc1)C(C=Cc1ccccc1)C=NO.
What is the InChIKey of N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine?
The InChIKey is RSFXRQKFVUEUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-17-13-16(12-11-14-7-3-1-4-8-14)21(19,20)15-9-5-2-6-10-15/h1-13,16,18H.
What are the key properties of N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine?
N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine has a molecular weight of 301.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine is sourced from PubChem (CID 3723583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).