N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide

C7H8ClN3O4S — CID 104821414

IUPACN-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H8ClN3O4S/c1-2-16(14,15)10-7-5(11(12)13)3-4-6(8)9-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWMQBYYZZPXILTM-UHFFFAOYSA-N
MW265.68 g/mol
LogP1.40
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide

N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide (PubChem CID 104821414) has the molecular formula C7H8ClN3O4S and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
PubChem CID104821414
Molecular FormulaC7H8ClN3O4S
Molecular Weight265.68 g/mol
Exact Mass264.99
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H8ClN3O4S/c1-2-16(14,15)10-7-5(11(12)13)3-4-6(8)9-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWMQBYYZZPXILTM-UHFFFAOYSA-N
XLogP1.40
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
CID 104821425
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
CID 104821433
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 43500336
N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 104821441
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 104821449
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
N-(3-methyl-4-nitrophenyl)ethanesulfonamide
CID 64584965

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide (CID 104821414) is N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide?
The InChIKey is WMQBYYZZPXILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O4S/c1-2-16(14,15)10-7-5(11(12)13)3-4-6(8)9-7/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide?
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide has a molecular weight of 265.68 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 104821414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).