2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide

C8H11N3O6S2 — CID 83271929

IUPAC2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
SMILESCc1cnc(S(=O)(=O)CCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O6S2/c1-6-5-10-8(4-7(6)11(12)13)18(14,15)2-3-19(9,16)17/h4-5H,2-3H2,1H3,(H2,9,16,17)
InChIKeyLICSBGGNHSIGCI-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.64
Rot. Bonds5

About 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide

2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide (PubChem CID 83271929) has the molecular formula C8H11N3O6S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
PubChem CID83271929
Molecular FormulaC8H11N3O6S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Name2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
SMILESCc1cnc(S(=O)(=O)CCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O6S2/c1-6-5-10-8(4-7(6)11(12)13)18(14,15)2-3-19(9,16)17/h4-5H,2-3H2,1H3,(H2,9,16,17)
InChIKeyLICSBGGNHSIGCI-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-(2-chloroethylsulfonyl)-5-methyl-4-nitropyridine
CID 83267395
5-methyl-4-nitropyridine-2-sulfonyl chloride
CID 83271751
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 81136768
2-(1-methyl-4-nitropyrazol-3-yl)sulfonylethanesulfonamide
CID 103080489
2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide
CID 102771756
2-(3-methyl-2-nitrophenyl)sulfonylethanesulfonamide
CID 114041927
3-(4-bromo-2-methyl-6-nitrophenoxy)propane-1-sulfonamide
CID 79843683
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
3-methyl-1-(5-methyl-4-nitro-2-pyridinyl)butan-2-ol
CID 83271984

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide (CID 83271929) is 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide is Cc1cnc(S(=O)(=O)CCS(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
The InChIKey is LICSBGGNHSIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S2/c1-6-5-10-8(4-7(6)11(12)13)18(14,15)2-3-19(9,16)17/h4-5H,2-3H2,1H3,(H2,9,16,17).
What are the key properties of 2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide?
2-[(5-methyl-4-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-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide is sourced from PubChem (CID 83271929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).