5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide

C12H20ClN3O2S — CID 64602106

IUPAC5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H20ClN3O2S/c1-3-4-5-6-7-16-19(17,18)10-8-11(13)12(14-2)15-9-10/h8-9,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyONVGJVUBOLNBDU-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.64
Rot. Bonds8

About 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 64602106) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
PubChem CID64602106
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H20ClN3O2S/c1-3-4-5-6-7-16-19(17,18)10-8-11(13)12(14-2)15-9-10/h8-9,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyONVGJVUBOLNBDU-UHFFFAOYSA-N
XLogP2.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685568
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
CID 64608502
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106295502
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide (CID 64602106) is 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide is CCCCCCNS(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ONVGJVUBOLNBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-3-4-5-6-7-16-19(17,18)10-8-11(13)12(14-2)15-9-10/h8-9,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64602106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).