2-chloro-N-cyclobutylpyridine-3-sulfonamide

C9H11ClN2O2S — CID 62414188

IUPAC2-chloro-N-cyclobutylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC1)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-9-8(5-2-6-11-9)15(13,14)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2
InChIKeyPNWLRKPRDFURIN-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.57
Rot. Bonds3

About 2-chloro-N-cyclobutylpyridine-3-sulfonamide

2-chloro-N-cyclobutylpyridine-3-sulfonamide (PubChem CID 62414188) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-chloro-N-cyclobutylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutylpyridine-3-sulfonamide
PubChem CID62414188
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-chloro-N-cyclobutylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC1)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-9-8(5-2-6-11-9)15(13,14)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2
InChIKeyPNWLRKPRDFURIN-UHFFFAOYSA-N
XLogP1.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.57
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-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-sulfonamide
CID 65472564
methyl 4-[(2-chloro-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115641381
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 61052493
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
3-chloro-N-cyclopropylpyridine-2-sulfonamide
CID 71646489
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
3-[(2-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 113220281
2-amino-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide
CID 62150570
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-cyclobutylpyridine-3-sulfonamide (CID 62414188) is 2-chloro-N-cyclobutylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclobutylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclobutylpyridine-3-sulfonamide is O=S(=O)(NC1CCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-cyclobutylpyridine-3-sulfonamide?
The InChIKey is PNWLRKPRDFURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-9-8(5-2-6-11-9)15(13,14)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2.
What are the key properties of 2-chloro-N-cyclobutylpyridine-3-sulfonamide?
2-chloro-N-cyclobutylpyridine-3-sulfonamide has a molecular weight of 246.72 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutylpyridine-3-sulfonamide is sourced from PubChem (CID 62414188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).