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

C8H10ClN3O6S2 — CID 104821425

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O6S2/c1-19(15,16)4-5-20(17,18)11-8-6(12(13)14)2-3-7(9)10-8/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeySNNVAIBQKWPVNC-UHFFFAOYSA-N
MW343.77 g/mol
LogP0.43
Rot. Bonds6

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

N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide (PubChem CID 104821425) has the molecular formula C8H10ClN3O6S2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
PubChem CID104821425
Molecular FormulaC8H10ClN3O6S2
Molecular Weight343.77 g/mol
Exact Mass342.97
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O6S2/c1-19(15,16)4-5-20(17,18)11-8-6(12(13)14)2-3-7(9)10-8/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeySNNVAIBQKWPVNC-UHFFFAOYSA-N
XLogP0.43
TPSA136.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 50.43
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'}

Analyze N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
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
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
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
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 55037654
6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide (CID 104821425) is N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is SNNVAIBQKWPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O6S2/c1-19(15,16)4-5-20(17,18)11-8-6(12(13)14)2-3-7(9)10-8/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 343.77 g/mol, XLogP of 0.43, 6 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)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 104821425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).