2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide

C11H17ClN2O2S — CID 54950253

IUPAC2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-5-6-13-11(12)7-10/h5-9,14H,4H2,1-3H3
InChIKeyJEKSBUSZAXTVKX-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.45
Rot. Bonds5

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

2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide (PubChem CID 54950253) 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-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
PubChem CID54950253
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-5-6-13-11(12)7-10/h5-9,14H,4H2,1-3H3
InChIKeyJEKSBUSZAXTVKX-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

methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
CID 61052003
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
CID 61250551
2-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridine-4-sulfonamide
CID 61053448
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide (CID 54950253) is 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide?
The InChIKey is JEKSBUSZAXTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-8(2)9(3)14-17(15,16)10-5-6-13-11(12)7-10/h5-9,14H,4H2,1-3H3.
What are the key properties of 2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide?
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-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-4-sulfonamide is sourced from PubChem (CID 54950253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).