2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide

C8H8N4O4S2 — CID 103473164

IUPAC2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESN#Cc1cnc(SCCS(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N4O4S2/c9-4-6-3-7(12(13)14)8(11-5-6)17-1-2-18(10,15)16/h3,5H,1-2H2,(H2,10,15,16)
InChIKeyQNBCRLNIFYJIIJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.24
Rot. Bonds5

About 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide

2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide (PubChem CID 103473164) has the molecular formula C8H8N4O4S2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
PubChem CID103473164
Molecular FormulaC8H8N4O4S2
Molecular Weight288.31 g/mol
Exact Mass288.00
IUPAC Name2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESN#Cc1cnc(SCCS(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N4O4S2/c9-4-6-3-7(12(13)14)8(11-5-6)17-1-2-18(10,15)16/h3,5H,1-2H2,(H2,10,15,16)
InChIKeyQNBCRLNIFYJIIJ-UHFFFAOYSA-N
XLogP0.24
TPSA139.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-hydroxyethylsulfanyl)-5-nitropyridine-3-carbonitrile
CID 103472158
6-(2-chloroethylsulfanyl)-5-nitropyridine-3-carbonitrile
CID 103472173
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
2-(1-methyl-4-nitropyrazol-3-yl)sulfanylethanesulfonamide
CID 103080488
4-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 103470163
6-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 103470142
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 103470136
6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
CID 103473390
6-(1-methylsulfanylbutan-2-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472069
6-(3-aminocyclobutyl)oxy-5-nitropyridine-3-carbonitrile
CID 103473325
2-(3-hydroxypropylsulfanyl)-5-nitropyridine-3-carbonitrile
CID 66113166

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide (CID 103473164) is 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide is N#Cc1cnc(SCCS(N)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The InChIKey is QNBCRLNIFYJIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S2/c9-4-6-3-7(12(13)14)8(11-5-6)17-1-2-18(10,15)16/h3,5H,1-2H2,(H2,10,15,16).
What are the key properties of 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide has a molecular weight of 288.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 103473164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).