5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide

C11H16BrClN2O2S — CID 74224289

IUPAC5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)(C)C
InChIInChI=1S/C11H16BrClN2O2S/c1-7(11(2,3)4)15-18(16,17)8-5-9(12)10(13)14-6-8/h5-7,15H,1-4H3/t7-/m1/s1
InChIKeyOIMVUNWSTYVJGP-SSDOTTSWSA-N
MW355.69 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide

5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide (PubChem CID 74224289) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
PubChem CID74224289
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC Name5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)(C)C
InChIInChI=1S/C11H16BrClN2O2S/c1-7(11(2,3)4)15-18(16,17)8-5-9(12)10(13)14-6-8/h5-7,15H,1-4H3/t7-/m1/s1
InChIKeyOIMVUNWSTYVJGP-SSDOTTSWSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide (CID 74224289) is 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)(C)C.
What is the InChIKey of 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide?
The InChIKey is OIMVUNWSTYVJGP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S/c1-7(11(2,3)4)15-18(16,17)8-5-9(12)10(13)14-6-8/h5-7,15H,1-4H3/t7-/m1/s1.
What are the key properties of 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide?
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide has a molecular weight of 355.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 74224289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).