2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide

C8H11N3O6S2 — CID 81136768

IUPAC2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
SMILESCc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)n1
InChIInChI=1S/C8H11N3O6S2/c1-6-2-3-7(11(12)13)8(10-6)18(14,15)4-5-19(9,16)17/h2-3H,4-5H2,1H3,(H2,9,16,17)
InChIKeyFCFWVQVPBAHACM-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.64
Rot. Bonds5

About 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide

2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide (PubChem CID 81136768) has the molecular formula C8H11N3O6S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
PubChem CID81136768
Molecular FormulaC8H11N3O6S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Name2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
SMILESCc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)n1
InChIInChI=1S/C8H11N3O6S2/c1-6-2-3-7(11(12)13)8(10-6)18(14,15)4-5-19(9,16)17/h2-3H,4-5H2,1H3,(H2,9,16,17)
InChIKeyFCFWVQVPBAHACM-UHFFFAOYSA-N
XLogP-0.64
TPSA150.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.64
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'}

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Related Compounds

2-(1-methyl-4-nitropyrazol-3-yl)sulfonylethanesulfonamide
CID 103080489
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 83271929
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
2-(3-methyl-2-nitrophenyl)sulfonylethanesulfonamide
CID 114041927
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
CID 142411393
methyl 5-nitro-6-(2-sulfamoylethylamino)pyridine-2-carboxylate
CID 114403662
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
2-methyl-5-nitroquinolin-8-amine
CID 114289442
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide (CID 81136768) is 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide is Cc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The InChIKey is FCFWVQVPBAHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S2/c1-6-2-3-7(11(12)13)8(10-6)18(14,15)4-5-19(9,16)17/h2-3H,4-5H2,1H3,(H2,9,16,17).
What are the key properties of 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide has a molecular weight of 309.33 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide is sourced from PubChem (CID 81136768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).