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

C10H12N2O5S — CID 131849820

IUPACN-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)CC(=NO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O5S/c1-2-18(16,17)7-10(11-13)8-3-5-9(6-4-8)12(14)15/h3-6,13H,2,7H2,1H3
InChIKeyNJISMPZRYYXIAD-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.21
Rot. Bonds5

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

N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 131849820) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
PubChem CID131849820
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC NameN-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESCCS(=O)(=O)CC(=NO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O5S/c1-2-18(16,17)7-10(11-13)8-3-5-9(6-4-8)12(14)15/h3-6,13H,2,7H2,1H3
InChIKeyNJISMPZRYYXIAD-UHFFFAOYSA-N
XLogP1.21
TPSA109.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-methylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 102550829
(NE)-N-[2-ethylsulfonyl-1-(4-methylphenyl)ethylidene]hydroxylamine
CID 102550852
(NE)-N-[1-(4-nitrophenyl)-2-pyrrolidin-1-ylethylidene]hydroxylamine
CID 10014947
N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 71393953
N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 150181858
ethyl-methyl-(4-nitrophenyl)imino-oxo-λ6-sulfane
CID 124582986
N-(2-ethylsulfonylethyl)-4-nitrobenzamide
CID 51108652
1,4-dinitrobenzene;nitrous acid
CID 174371180
2-hydroxyimino-1-(4-nitrophenyl)hexan-1-one
CID 174584946
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
4-nitrobenzenesulfonic acid
CID 160847002
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine (CID 131849820) is N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine is CCS(=O)(=O)CC(=NO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is NJISMPZRYYXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-2-18(16,17)7-10(11-13)8-3-5-9(6-4-8)12(14)15/h3-6,13H,2,7H2,1H3.
What are the key properties of N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 272.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 131849820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).