N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide

C8H8ClN3O4S — CID 5151579

IUPACN-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide
SMILESCC(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCl
InChIInChI=1S/C8H8ClN3O4S/c1-6(10-9)11-17(15,16)8-4-2-7(3-5-8)12(13)14/h2-5H,1H3,(H,10,11)
InChIKeyHMZYBEGNKMAYES-UHFFFAOYSA-N
MW277.69 g/mol
LogP1.45
Rot. Bonds3

About N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide

N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide (PubChem CID 5151579) has the molecular formula C8H8ClN3O4S and a molecular weight of 277.69 g/mol. Its IUPAC name is N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide
PubChem CID5151579
Molecular FormulaC8H8ClN3O4S
Molecular Weight277.69 g/mol
Exact Mass276.99
IUPAC NameN-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide
SMILESCC(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCl
InChIInChI=1S/C8H8ClN3O4S/c1-6(10-9)11-17(15,16)8-4-2-7(3-5-8)12(13)14/h2-5H,1H3,(H,10,11)
InChIKeyHMZYBEGNKMAYES-UHFFFAOYSA-N
XLogP1.45
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)ethanimidamide
CID 154719424
CID 87359197
CID 87359197
4-nitrobenzenesulfonic acid
CID 160847002
cesium 4-nitrobenzenesulfonate
CID 101283504
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
N-[bis(benzylsulfanyl)methylidene]-4-nitrobenzenesulfonamide
CID 1250808
N-[ethyl-(4-nitrophenyl)-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 58533485
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-cyano-4-nitrobenzenesulfonamide
CID 100975639
N-[methylidene-(4-nitrophenyl)-oxo-λ6-sulfanyl]methanamine
CID 91145865
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748

Frequently Asked Questions

What is the IUPAC name of N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide?
The IUPAC name of N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide (CID 5151579) is N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide.
What is the SMILES notation for N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide?
The canonical SMILES for N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide is CC(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCl.
What is the InChIKey of N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide?
The InChIKey is HMZYBEGNKMAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O4S/c1-6(10-9)11-17(15,16)8-4-2-7(3-5-8)12(13)14/h2-5H,1H3,(H,10,11).
What are the key properties of N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide?
N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide has a molecular weight of 277.69 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N'-(4-nitrophenyl)sulfonylethanimidamide is sourced from PubChem (CID 5151579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).