6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide

C11H17ClN2O2S — CID 115613422

IUPAC6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O2S/c1-3-9(4-2)7-14-17(15,16)10-5-6-11(12)13-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyNYALODZUWFSAKZ-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.45
Rot. Bonds6

About 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide

6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide (PubChem CID 115613422) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
PubChem CID115613422
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O2S/c1-3-9(4-2)7-14-17(15,16)10-5-6-11(12)13-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyNYALODZUWFSAKZ-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.45
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

6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110302702
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244592
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide (CID 115613422) is 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide?
The InChIKey is NYALODZUWFSAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-3-9(4-2)7-14-17(15,16)10-5-6-11(12)13-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide?
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115613422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).