6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide

C14H22ClN3O2S — CID 61045800

IUPAC6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)nc1)CN1CCCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-12(11-18-7-3-2-4-8-18)9-17-21(19,20)13-5-6-14(15)16-10-13/h5-6,10,12,17H,2-4,7-9,11H2,1H3
InChIKeySESYKZBVKYGUPJ-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.14
Rot. Bonds6

About 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide

6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 61045800) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID61045800
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)nc1)CN1CCCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-12(11-18-7-3-2-4-8-18)9-17-21(19,20)13-5-6-14(15)16-10-13/h5-6,10,12,17H,2-4,7-9,11H2,1H3
InChIKeySESYKZBVKYGUPJ-UHFFFAOYSA-N
XLogP2.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.14
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-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991663

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide (CID 61045800) is 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)nc1)CN1CCCCC1.
What is the InChIKey of 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is SESYKZBVKYGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-12(11-18-7-3-2-4-8-18)9-17-21(19,20)13-5-6-14(15)16-10-13/h5-6,10,12,17H,2-4,7-9,11H2,1H3.
What are the key properties of 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide?
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61045800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).