N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide

C11H14Cl2N2O2S — CID 114051214

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-7-6-9(12)14-11(13)10(7)15-18(16,17)8-4-2-3-5-8/h6,8,15H,2-5H2,1H3
InChIKeyBPJXSTSYXXUSKT-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.38
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide (PubChem CID 114051214) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide
PubChem CID114051214
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-7-6-9(12)14-11(13)10(7)15-18(16,17)8-4-2-3-5-8/h6,8,15H,2-5H2,1H3
InChIKeyBPJXSTSYXXUSKT-UHFFFAOYSA-N
XLogP3.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide (CID 114051214) is N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide is Cc1cc(Cl)nc(Cl)c1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide?
The InChIKey is BPJXSTSYXXUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-7-6-9(12)14-11(13)10(7)15-18(16,17)8-4-2-3-5-8/h6,8,15H,2-5H2,1H3.
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)cyclopentanesulfonamide is sourced from PubChem (CID 114051214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).