5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide

C10H14Cl2N2O2S — CID 64624600

IUPAC5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-4-10(2,3)14-17(15,16)7-5-8(11)9(12)13-6-7/h5-6,14H,4H2,1-3H3
InChIKeyJIHAGIWTVZRLJE-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.86
Rot. Bonds4

About 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 64624600) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID64624600
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-4-10(2,3)14-17(15,16)7-5-8(11)9(12)13-6-7/h5-6,14H,4H2,1-3H3
InChIKeyJIHAGIWTVZRLJE-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.86
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

5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-(1-amino-2-methylpropan-2-yl)-6-chloro-5-methylpyridine-3-sulfonamide
CID 84591390
3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106098350
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide (CID 64624600) is 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is JIHAGIWTVZRLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-4-10(2,3)14-17(15,16)7-5-8(11)9(12)13-6-7/h5-6,14H,4H2,1-3H3.
What are the key properties of 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64624600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).