4-cyclohexylsulfonyl-3-nitropyridine

C11H14N2O4S — CID 71262646

IUPAC4-cyclohexylsulfonyl-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H14N2O4S/c14-13(15)10-8-12-7-6-11(10)18(16,17)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyKKRTZLKGJCNAQX-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.10
Rot. Bonds3

About 4-cyclohexylsulfonyl-3-nitropyridine

4-cyclohexylsulfonyl-3-nitropyridine (PubChem CID 71262646) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-cyclohexylsulfonyl-3-nitropyridine.

Molecular Properties

Compound Name4-cyclohexylsulfonyl-3-nitropyridine
PubChem CID71262646
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-cyclohexylsulfonyl-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H14N2O4S/c14-13(15)10-8-12-7-6-11(10)18(16,17)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyKKRTZLKGJCNAQX-UHFFFAOYSA-N
XLogP2.10
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-cyclohexylsulfonyl-3-nitropyridine?
The IUPAC name of 4-cyclohexylsulfonyl-3-nitropyridine (CID 71262646) is 4-cyclohexylsulfonyl-3-nitropyridine.
What is the SMILES notation for 4-cyclohexylsulfonyl-3-nitropyridine?
The canonical SMILES for 4-cyclohexylsulfonyl-3-nitropyridine is O=[N+]([O-])c1cnccc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfonyl-3-nitropyridine?
The InChIKey is KKRTZLKGJCNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-13(15)10-8-12-7-6-11(10)18(16,17)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 4-cyclohexylsulfonyl-3-nitropyridine?
4-cyclohexylsulfonyl-3-nitropyridine has a molecular weight of 270.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfonyl-3-nitropyridine is sourced from PubChem (CID 71262646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).