2-(2-cyano-4-nitroanilino)ethanesulfonamide

C9H10N4O4S — CID 43552415

IUPAC2-(2-cyano-4-nitroanilino)ethanesulfonamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NCCS(N)(=O)=O
InChIInChI=1S/C9H10N4O4S/c10-6-7-5-8(13(14)15)1-2-9(7)12-3-4-18(11,16)17/h1-2,5,12H,3-4H2,(H2,11,16,17)
InChIKeyXLGOYQXOCHJSNY-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.17
Rot. Bonds5

About 2-(2-cyano-4-nitroanilino)ethanesulfonamide

2-(2-cyano-4-nitroanilino)ethanesulfonamide (PubChem CID 43552415) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-(2-cyano-4-nitroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-cyano-4-nitroanilino)ethanesulfonamide
PubChem CID43552415
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC Name2-(2-cyano-4-nitroanilino)ethanesulfonamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NCCS(N)(=O)=O
InChIInChI=1S/C9H10N4O4S/c10-6-7-5-8(13(14)15)1-2-9(7)12-3-4-18(11,16)17/h1-2,5,12H,3-4H2,(H2,11,16,17)
InChIKeyXLGOYQXOCHJSNY-UHFFFAOYSA-N
XLogP0.17
TPSA139.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethyl)-4-nitroanilino]ethanesulfonamide
CID 63748992
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
2-(3,3-dimethylbutylamino)-5-nitrobenzonitrile
CID 47184868
2-[2-(tert-butylamino)ethylamino]-5-nitrobenzonitrile
CID 103642461
2-[2-(ethylamino)ethylamino]-5-nitrobenzonitrile
CID 62663550
5-nitro-2-(3,3,3-trifluoropropylamino)benzonitrile
CID 63226791
3-(2,4-dinitroanilino)propane-1-sulfonamide
CID 61063868
5-nitro-2-(3-trimethylsilylpropylamino)benzonitrile
CID 100670079
2-(2-ethylsulfinylethylamino)-5-nitrobenzonitrile
CID 113236157
5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43790290
7-(2-cyano-4-nitroanilino)heptanoic acid
CID 24695067
2-(2-nitroanilino)ethanesulfonamide
CID 43552409

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-nitroanilino)ethanesulfonamide?
The IUPAC name of 2-(2-cyano-4-nitroanilino)ethanesulfonamide (CID 43552415) is 2-(2-cyano-4-nitroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2-cyano-4-nitroanilino)ethanesulfonamide?
The canonical SMILES for 2-(2-cyano-4-nitroanilino)ethanesulfonamide is N#Cc1cc([N+](=O)[O-])ccc1NCCS(N)(=O)=O.
What is the InChIKey of 2-(2-cyano-4-nitroanilino)ethanesulfonamide?
The InChIKey is XLGOYQXOCHJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c10-6-7-5-8(13(14)15)1-2-9(7)12-3-4-18(11,16)17/h1-2,5,12H,3-4H2,(H2,11,16,17).
What are the key properties of 2-(2-cyano-4-nitroanilino)ethanesulfonamide?
2-(2-cyano-4-nitroanilino)ethanesulfonamide has a molecular weight of 270.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-nitroanilino)ethanesulfonamide is sourced from PubChem (CID 43552415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).