(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine

C16H17NO3S — CID 102550846

IUPAC(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)C/C(=N/O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-21(19,20)12-16(17-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3/b17-16-
InChIKeyQQPVZGJTGAPLQY-MSUUIHNZSA-N
MW303.38 g/mol
LogP2.97
Rot. Bonds5

About (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine

(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine (PubChem CID 102550846) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
PubChem CID102550846
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)C/C(=N/O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-21(19,20)12-16(17-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3/b17-16-
InChIKeyQQPVZGJTGAPLQY-MSUUIHNZSA-N
XLogP2.97
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.97
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

(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(NZ)-N-[2-nitroso-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 172961454
(NE)-N-[2-ethylsulfonyl-1-(2-methylphenyl)ethylidene]hydroxylamine
CID 102550856
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 131849820
(NZ)-N-[2-chloro-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 125472574
(NZ)-N-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 6381176
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
2-ethylsulfonyl-1-phenylethanone
CID 19033550
ethane;4-phenylbenzoic acid;propane
CID 156791718
N-ethylsulfonyl-4-phenylbenzamide
CID 140633529
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine (CID 102550846) is (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine is CCS(=O)(=O)C/C(=N/O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine?
The InChIKey is QQPVZGJTGAPLQY-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-21(19,20)12-16(17-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3/b17-16-.
What are the key properties of (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine?
(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine has a molecular weight of 303.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 102550846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).