N-tert-butyl-5,6-dichloropyridine-3-sulfonamide

C9H12Cl2N2O2S — CID 826903

IUPACN-tert-butyl-5,6-dichloropyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-9(2,3)13-16(14,15)6-4-7(10)8(11)12-5-6/h4-5,13H,1-3H3
InChIKeyFGMSXLHYJDWXGY-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.47
Rot. Bonds2

About N-tert-butyl-5,6-dichloropyridine-3-sulfonamide

N-tert-butyl-5,6-dichloropyridine-3-sulfonamide (PubChem CID 826903) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is N-tert-butyl-5,6-dichloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5,6-dichloropyridine-3-sulfonamide
PubChem CID826903
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC NameN-tert-butyl-5,6-dichloropyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-9(2,3)13-16(14,15)6-4-7(10)8(11)12-5-6/h4-5,13H,1-3H3
InChIKeyFGMSXLHYJDWXGY-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.47
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 N-tert-butyl-5,6-dichloropyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-5,6-dichloropyridine-3-sulfonamide (CID 826903) is N-tert-butyl-5,6-dichloropyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-5,6-dichloropyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-5,6-dichloropyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-tert-butyl-5,6-dichloropyridine-3-sulfonamide?
The InChIKey is FGMSXLHYJDWXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c1-9(2,3)13-16(14,15)6-4-7(10)8(11)12-5-6/h4-5,13H,1-3H3.
What are the key properties of N-tert-butyl-5,6-dichloropyridine-3-sulfonamide?
N-tert-butyl-5,6-dichloropyridine-3-sulfonamide has a molecular weight of 283.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,6-dichloropyridine-3-sulfonamide is sourced from PubChem (CID 826903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).