4-cyano-3-nitropyridine-2-sulfonamide

C6H4N4O4S — CID 82813144

IUPAC4-cyano-3-nitropyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O4S/c7-3-4-1-2-9-6(15(8,13)14)5(4)10(11)12/h1-2H,(H2,8,13,14)
InChIKeyJXCICGBZROHBIT-UHFFFAOYSA-N
MW228.19 g/mol
LogP-0.49
Rot. Bonds2

About 4-cyano-3-nitropyridine-2-sulfonamide

4-cyano-3-nitropyridine-2-sulfonamide (PubChem CID 82813144) has the molecular formula C6H4N4O4S and a molecular weight of 228.19 g/mol. Its IUPAC name is 4-cyano-3-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name4-cyano-3-nitropyridine-2-sulfonamide
PubChem CID82813144
Molecular FormulaC6H4N4O4S
Molecular Weight228.19 g/mol
Exact Mass228.00
IUPAC Name4-cyano-3-nitropyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O4S/c7-3-4-1-2-9-6(15(8,13)14)5(4)10(11)12/h1-2H,(H2,8,13,14)
InChIKeyJXCICGBZROHBIT-UHFFFAOYSA-N
XLogP-0.49
TPSA139.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
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-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid
CID 114335292
2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
CID 82812926
3-nitro-2-(pyrrol-1-ylamino)pyridine-4-carbonitrile
CID 82813995
2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
N-[3-[(4-cyano-3-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103764562
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
CID 82813128
2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813337
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 103764633
2-[(2,5-dimethylpyrrol-1-yl)amino]-3-nitropyridine-4-carbonitrile
CID 82814093
2-(1-aminobutan-2-ylamino)-3-nitropyridine-4-carbonitrile
CID 82814100
2-(2-bromo-4-methylphenoxy)-3-nitropyridine-4-carbonitrile
CID 80718101
2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile
CID 82812938

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-nitropyridine-2-sulfonamide?
The IUPAC name of 4-cyano-3-nitropyridine-2-sulfonamide (CID 82813144) is 4-cyano-3-nitropyridine-2-sulfonamide.
What is the SMILES notation for 4-cyano-3-nitropyridine-2-sulfonamide?
The canonical SMILES for 4-cyano-3-nitropyridine-2-sulfonamide is N#Cc1ccnc(S(N)(=O)=O)c1[N+](=O)[O-].
What is the InChIKey of 4-cyano-3-nitropyridine-2-sulfonamide?
The InChIKey is JXCICGBZROHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O4S/c7-3-4-1-2-9-6(15(8,13)14)5(4)10(11)12/h1-2H,(H2,8,13,14).
What are the key properties of 4-cyano-3-nitropyridine-2-sulfonamide?
4-cyano-3-nitropyridine-2-sulfonamide has a molecular weight of 228.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-nitropyridine-2-sulfonamide is sourced from PubChem (CID 82813144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).