2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide

C13H21ClN2O2S — CID 61046080

IUPAC2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-12(2,3)9-13(4,5)16-19(17,18)10-7-6-8-15-11(10)14/h6-8,16H,9H2,1-5H3
InChIKeyPJCLPBUEQKJPFG-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide

2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide (PubChem CID 61046080) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
PubChem CID61046080
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-12(2,3)9-13(4,5)16-19(17,18)10-7-6-8-15-11(10)14/h6-8,16H,9H2,1-5H3
InChIKeyPJCLPBUEQKJPFG-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 53.23
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

3-(2,4,4-trimethylpentan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597062
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2,3,4-trichloro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 50876740
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599417
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide (CID 61046080) is 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide?
The InChIKey is PJCLPBUEQKJPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-12(2,3)9-13(4,5)16-19(17,18)10-7-6-8-15-11(10)14/h6-8,16H,9H2,1-5H3.
What are the key properties of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide has a molecular weight of 304.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61046080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).