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

C11H14ClN3O4S — CID 104821433

IUPACN-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H14ClN3O4S/c12-10-7-6-9(15(16)17)11(13-10)14-20(18,19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyFAPUYNMLWJTXGL-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.72
Rot. Bonds4

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

N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide (PubChem CID 104821433) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
PubChem CID104821433
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H14ClN3O4S/c12-10-7-6-9(15(16)17)11(13-10)14-20(18,19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyFAPUYNMLWJTXGL-UHFFFAOYSA-N
XLogP2.72
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide (CID 104821433) is N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide is O=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide?
The InChIKey is FAPUYNMLWJTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-10-7-6-9(15(16)17)11(13-10)14-20(18,19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide?
N-(6-chloro-3-nitro-2-pyridinyl)cyclohexanesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 2.72, 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)cyclohexanesulfonamide is sourced from PubChem (CID 104821433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).