6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide

C11H15ClN2O3S — CID 114629375

IUPAC6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O3S/c1-11(2)8(5-9(11)15)14-18(16,17)7-3-4-10(12)13-6-7/h3-4,6,8-9,14-15H,5H2,1-2H3
InChIKeyNJHHTDZPUQAJQG-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.17
Rot. Bonds3

About 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide

6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide (PubChem CID 114629375) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
PubChem CID114629375
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O3S/c1-11(2)8(5-9(11)15)14-18(16,17)7-3-4-10(12)13-6-7/h3-4,6,8-9,14-15H,5H2,1-2H3
InChIKeyNJHHTDZPUQAJQG-UHFFFAOYSA-N
XLogP1.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(tetrahydro-2-furanylmethyl)-3-pyridinesulfonamide
CID 5151378
N-tert-butyl-6-chloropyridine-3-sulfonamide
CID 4729821
6-chloro-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 20120755
2-chloro-N-(propan-2-yl)pyridine-3-sulfonamide
CID 1214509
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
CID 164637562
2-chloro-N-[(2R)-2-hydroxybutyl]-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 169261701
2-chloro-N-(2-hydroxybutyl)-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 170315903
5-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 103833854
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103834037
6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103834112
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836835
6-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836922

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide (CID 114629375) is 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
The InChIKey is NJHHTDZPUQAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-11(2)8(5-9(11)15)14-18(16,17)7-3-4-10(12)13-6-7/h3-4,6,8-9,14-15H,5H2,1-2H3.
What are the key properties of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide?
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114629375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).