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

C8H12N4O4S — CID 83268563

IUPAC2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESCc1cnc(NCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4S/c1-6-5-11-8(4-7(6)12(13)14)10-2-3-17(9,15)16/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,15,16)
InChIKeyZHZOIYNTOZHYDS-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.00
Rot. Bonds5

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

2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 83268563) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
PubChem CID83268563
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC Name2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESCc1cnc(NCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4S/c1-6-5-11-8(4-7(6)12(13)14)10-2-3-17(9,15)16/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,15,16)
InChIKeyZHZOIYNTOZHYDS-UHFFFAOYSA-N
XLogP-0.00
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
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

N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 83271929
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide (CID 83268563) is 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide is Cc1cnc(NCCS(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is ZHZOIYNTOZHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-6-5-11-8(4-7(6)12(13)14)10-2-3-17(9,15)16/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,15,16).
What are the key properties of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide?
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 260.27 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 83268563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).