2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide

C11H17ClN2O2S — CID 54950252

IUPAC2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-6-5-7-13-11(10)12/h5-9,14H,4H2,1-3H3
InChIKeyDBOONVQFQZIMDI-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.45
Rot. Bonds5

About 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide

2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide (PubChem CID 54950252) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
PubChem CID54950252
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-6-5-7-13-11(10)12/h5-9,14H,4H2,1-3H3
InChIKeyDBOONVQFQZIMDI-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.45
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-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 115650670
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61041711
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115679627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide (CID 54950252) is 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide?
The InChIKey is DBOONVQFQZIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-6-5-7-13-11(10)12/h5-9,14H,4H2,1-3H3.
What are the key properties of 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 54950252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).