6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

C13H20ClN3O2S — CID 107163440

IUPAC6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-13(5-7-17(2)8-6-13)10-16-20(18,19)11-3-4-12(14)15-9-11/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyPTTDKPCXIKVIHD-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.75
Rot. Bonds4

About 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 107163440) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID107163440
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(C)(CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-13(5-7-17(2)8-6-13)10-16-20(18,19)11-3-4-12(14)15-9-11/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyPTTDKPCXIKVIHD-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 107162958
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
CID 55697943
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide (CID 107163440) is 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is CN1CCC(C)(CNS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is PTTDKPCXIKVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-13(5-7-17(2)8-6-13)10-16-20(18,19)11-3-4-12(14)15-9-11/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107163440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).