N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide

C11H15BrN2O2S — CID 63905369

IUPACN-(5-bromo-2-pyridinyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-9-6-7-11(13-8-9)14-17(15,16)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14)
InChIKeyJLLSTWLSUYVXTA-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.92
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide

N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide (PubChem CID 63905369) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)cyclohexanesulfonamide
PubChem CID63905369
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(5-bromo-2-pyridinyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-9-6-7-11(13-8-9)14-17(15,16)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14)
InChIKeyJLLSTWLSUYVXTA-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide (CID 63905369) is N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide is O=S(=O)(Nc1ccc(Br)cn1)C1CCCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide?
The InChIKey is JLLSTWLSUYVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-9-6-7-11(13-8-9)14-17(15,16)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14).
What are the key properties of N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide?
N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide is sourced from PubChem (CID 63905369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).