N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine

C13H11NO3S — CID 645799

IUPACN-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)c1ccccc1C=NO
InChIInChI=1S/C13H11NO3S/c15-14-10-11-6-4-5-9-13(11)18(16,17)12-7-2-1-3-8-12/h1-10,15H
InChIKeyJNCUWKUUGNHOQU-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.33
Rot. Bonds3

About N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine

N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine (PubChem CID 645799) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine
PubChem CID645799
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine
SMILESO=S(=O)(c1ccccc1)c1ccccc1C=NO
InChIInChI=1S/C13H11NO3S/c15-14-10-11-6-4-5-9-13(11)18(16,17)12-7-2-1-3-8-12/h1-10,15H
InChIKeyJNCUWKUUGNHOQU-UHFFFAOYSA-N
XLogP2.33
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine (CID 645799) is N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine is O=S(=O)(c1ccccc1)c1ccccc1C=NO.
What is the InChIKey of N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine?
The InChIKey is JNCUWKUUGNHOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-14-10-11-6-4-5-9-13(11)18(16,17)12-7-2-1-3-8-12/h1-10,15H.
What are the key properties of N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine?
N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine has a molecular weight of 261.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzenesulfonyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 645799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).