2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide

C8H11N3O5S2 — CID 115323386

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESCOc1ccc([N+](=O)[O-])c(SCCS(N)(=O)=O)n1
InChIInChI=1S/C8H11N3O5S2/c1-16-7-3-2-6(11(12)13)8(10-7)17-4-5-18(9,14)15/h2-3H,4-5H2,1H3,(H2,9,14,15)
InChIKeyUUAZFDFYACGHHV-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.38
Rot. Bonds6

About 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide

2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide (PubChem CID 115323386) has the molecular formula C8H11N3O5S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
PubChem CID115323386
Molecular FormulaC8H11N3O5S2
Molecular Weight293.33 g/mol
Exact Mass293.01
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESCOc1ccc([N+](=O)[O-])c(SCCS(N)(=O)=O)n1
InChIInChI=1S/C8H11N3O5S2/c1-16-7-3-2-6(11(12)13)8(10-7)17-4-5-18(9,14)15/h2-3H,4-5H2,1H3,(H2,9,14,15)
InChIKeyUUAZFDFYACGHHV-UHFFFAOYSA-N
XLogP0.38
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.38
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-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
CID 115323207
methyl 3-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]propanoate
CID 142411399
2-benzylsulfanyl-6-methoxy-3-nitropyridine
CID 135308487
CID 157299402
CID 157299402
2-(1-methyl-4-nitropyrazol-3-yl)sulfanylethanesulfonamide
CID 103080488
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
5-nitro-6-pentylsulfanylpyridin-2-amine
CID 107765410
[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 115323202
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
CID 142411393

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide (CID 115323386) is 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide is COc1ccc([N+](=O)[O-])c(SCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
The InChIKey is UUAZFDFYACGHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S2/c1-16-7-3-2-6(11(12)13)8(10-7)17-4-5-18(9,14)15/h2-3H,4-5H2,1H3,(H2,9,14,15).
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide?
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 115323386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).