6-(dimethylamino)-5-nitropyridine-3-sulfonamide

C7H10N4O4S — CID 70625699

IUPAC6-(dimethylamino)-5-nitropyridine-3-sulfonamide
SMILESCN(C)c1ncc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O4S/c1-10(2)7-6(11(12)13)3-5(4-9-7)16(8,14)15/h3-4H,1-2H3,(H2,8,14,15)
InChIKeyJIJUZGUTDSIXOW-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.30
Rot. Bonds3

About 6-(dimethylamino)-5-nitropyridine-3-sulfonamide

6-(dimethylamino)-5-nitropyridine-3-sulfonamide (PubChem CID 70625699) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-(dimethylamino)-5-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-5-nitropyridine-3-sulfonamide
PubChem CID70625699
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name6-(dimethylamino)-5-nitropyridine-3-sulfonamide
SMILESCN(C)c1ncc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O4S/c1-10(2)7-6(11(12)13)3-5(4-9-7)16(8,14)15/h3-4H,1-2H3,(H2,8,14,15)
InChIKeyJIJUZGUTDSIXOW-UHFFFAOYSA-N
XLogP-0.30
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.30
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

4-[methyl(pyrazin-2-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 133307729
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
CID 82222955
6-[[4-(hydroxymethyl)cyclohexyl]methylamino]-5-nitropyridine-3-sulfonamide
CID 168730201
3-amino-4-hydroxy-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 54042342
5-bromo-6-[methyl(oxan-4-yl)amino]pyridine-3-sulfonamide
CID 67126422
4-[(4-ethylphenyl)methyl-methylamino]-3-nitrobenzenesulfonamide
CID 9113587
4-[azetidin-3-yl(methyl)amino]-3-nitrobenzenesulfonamide
CID 66181631
2-(N-methyl-2-nitro-4-sulfamoylanilino)propanoic acid
CID 62637022
2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66278047
4-(2-bromopentan-3-yl)-3-nitrobenzenesulfonamide
CID 55163390
4-(3-chlorobutan-2-yl)-3-nitrobenzenesulfonamide
CID 63203202

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-5-nitropyridine-3-sulfonamide?
The IUPAC name of 6-(dimethylamino)-5-nitropyridine-3-sulfonamide (CID 70625699) is 6-(dimethylamino)-5-nitropyridine-3-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-5-nitropyridine-3-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-5-nitropyridine-3-sulfonamide is CN(C)c1ncc(S(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 6-(dimethylamino)-5-nitropyridine-3-sulfonamide?
The InChIKey is JIJUZGUTDSIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S/c1-10(2)7-6(11(12)13)3-5(4-9-7)16(8,14)15/h3-4H,1-2H3,(H2,8,14,15).
What are the key properties of 6-(dimethylamino)-5-nitropyridine-3-sulfonamide?
6-(dimethylamino)-5-nitropyridine-3-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-5-nitropyridine-3-sulfonamide is sourced from PubChem (CID 70625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).