N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide

C8H6ClN5O4S — CID 104821449

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H6ClN5O4S/c9-6-2-1-5(14(15)16)8(12-6)13-19(17,18)7-3-10-4-11-7/h1-4H,(H,10,11)(H,12,13)
InChIKeyMOOHYUDHTNZLOG-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.17
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide

N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide (PubChem CID 104821449) has the molecular formula C8H6ClN5O4S and a molecular weight of 303.69 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
PubChem CID104821449
Molecular FormulaC8H6ClN5O4S
Molecular Weight303.69 g/mol
Exact Mass302.98
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H6ClN5O4S/c9-6-2-1-5(14(15)16)8(12-6)13-19(17,18)7-3-10-4-11-7/h1-4H,(H,10,11)(H,12,13)
InChIKeyMOOHYUDHTNZLOG-UHFFFAOYSA-N
XLogP1.17
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-bromo-4-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 82864859
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 104821441
N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
CID 104821425
N-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazole-5-sulfonamide
CID 104815465
N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
CID 104821433
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide (CID 104821449) is N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide is O=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The InChIKey is MOOHYUDHTNZLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O4S/c9-6-2-1-5(14(15)16)8(12-6)13-19(17,18)7-3-10-4-11-7/h1-4H,(H,10,11)(H,12,13).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide?
N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104821449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).