N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide

C9H8ClN5O4S — CID 104821441

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C9H8ClN5O4S/c1-14-4-8(11-5-14)20(18,19)13-9-6(15(16)17)2-3-7(10)12-9/h2-5H,1H3,(H,12,13)
InChIKeyQMMSENRLTYQXNM-UHFFFAOYSA-N
MW317.71 g/mol
LogP1.18
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide

N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide (PubChem CID 104821441) has the molecular formula C9H8ClN5O4S and a molecular weight of 317.71 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
PubChem CID104821441
Molecular FormulaC9H8ClN5O4S
Molecular Weight317.71 g/mol
Exact Mass317.00
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C9H8ClN5O4S/c1-14-4-8(11-5-14)20(18,19)13-9-6(15(16)17)2-3-7(10)12-9/h2-5H,1H3,(H,12,13)
InChIKeyQMMSENRLTYQXNM-UHFFFAOYSA-N
XLogP1.18
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
CID 107681543
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
CID 104821425
N-(6-chloro-3-nitro-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 104821449
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
CID 62375451
N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
CID 104821433
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 55037654
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide (CID 104821441) is N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is QMMSENRLTYQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O4S/c1-14-4-8(11-5-14)20(18,19)13-9-6(15(16)17)2-3-7(10)12-9/h2-5H,1H3,(H,12,13).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide?
N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 317.71 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104821441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).