2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide

C12H19ClN2O2S — CID 102609400

IUPAC2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)12(3,4)8-15-18(16,17)10-6-5-7-14-11(10)13/h5-7,9,15H,8H2,1-4H3
InChIKeyVIIJSGKLHDCZTG-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide

2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide (PubChem CID 102609400) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
PubChem CID102609400
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-9(2)12(3,4)8-15-18(16,17)10-6-5-7-14-11(10)13/h5-7,9,15H,8H2,1-4H3
InChIKeyVIIJSGKLHDCZTG-UHFFFAOYSA-N
XLogP2.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.70
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

2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 115650670
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
CID 61046080
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide (CID 102609400) is 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide is CC(C)C(C)(C)CNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is VIIJSGKLHDCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(2)12(3,4)8-15-18(16,17)10-6-5-7-14-11(10)13/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 102609400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).