2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide

C11H12ClN3O3S — CID 61217769

IUPAC2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccnc2Cl)on1
InChIInChI=1S/C11H12ClN3O3S/c1-7(2)8-6-10(18-14-8)15-19(16,17)9-4-3-5-13-11(9)12/h3-7,15H,1-2H3
InChIKeyJALPIMHQMUUGHP-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide

2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide (PubChem CID 61217769) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
PubChem CID61217769
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2cccnc2Cl)on1
InChIInChI=1S/C11H12ClN3O3S/c1-7(2)8-6-10(18-14-8)15-19(16,17)9-4-3-5-13-11(9)12/h3-7,15H,1-2H3
InChIKeyJALPIMHQMUUGHP-UHFFFAOYSA-N
XLogP2.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide (CID 61217769) is 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2cccnc2Cl)on1.
What is the InChIKey of 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is JALPIMHQMUUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7(2)8-6-10(18-14-8)15-19(16,17)9-4-3-5-13-11(9)12/h3-7,15H,1-2H3.
What are the key properties of 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).