6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide

C11H17ClN2O2S — CID 55163586

IUPAC6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)C(Cl)Cc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C11H17ClN2O2S/c1-11(2,3)10(12)6-8-4-5-9(7-14-8)17(13,15)16/h4-5,7,10H,6H2,1-3H3,(H2,13,15,16)
InChIKeyPWKNPCNLWPLFKS-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.92
Rot. Bonds3

About 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide

6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide (PubChem CID 55163586) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide
PubChem CID55163586
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)C(Cl)Cc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C11H17ClN2O2S/c1-11(2,3)10(12)6-8-4-5-9(7-14-8)17(13,15)16/h4-5,7,10H,6H2,1-3H3,(H2,13,15,16)
InChIKeyPWKNPCNLWPLFKS-UHFFFAOYSA-N
XLogP1.92
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide (CID 55163586) is 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide is CC(C)(C)C(Cl)Cc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is PWKNPCNLWPLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-11(2,3)10(12)6-8-4-5-9(7-14-8)17(13,15)16/h4-5,7,10H,6H2,1-3H3,(H2,13,15,16).
What are the key properties of 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide?
6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 55163586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).