N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide

C11H15BrN2O2S — CID 103908703

IUPACN-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H15BrN2O2S/c1-8-10(6-7-11(12)13-8)14-17(15,16)9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeyKJHPCLSDXPHWHF-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.84
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide (PubChem CID 103908703) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
PubChem CID103908703
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H15BrN2O2S/c1-8-10(6-7-11(12)13-8)14-17(15,16)9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeyKJHPCLSDXPHWHF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 114050645
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
N-(6-bromo-2-methyl-3-pyridinyl)-2-methylpropane-1-sulfonamide
CID 103907877
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine
CID 114050671
N-(6-bromo-2-methyl-3-pyridinyl)-2-methoxyethanesulfonamide
CID 103907799
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide (CID 103908703) is N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide?
The InChIKey is KJHPCLSDXPHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-10(6-7-11(12)13-8)14-17(15,16)9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide is sourced from PubChem (CID 103908703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).