3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide

C11H16ClN3O2S — CID 71639809

IUPAC3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)c1ncccc1Cl
InChIInChI=1S/C11H16ClN3O2S/c12-10-2-1-5-14-11(10)18(16,17)15-8-9-3-6-13-7-4-9/h1-2,5,9,13,15H,3-4,6-8H2
InChIKeyLAXZUZRYGFVEIN-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.01
Rot. Bonds4

About 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide

3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide (PubChem CID 71639809) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide
PubChem CID71639809
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)c1ncccc1Cl
InChIInChI=1S/C11H16ClN3O2S/c12-10-2-1-5-14-11(10)18(16,17)15-8-9-3-6-13-7-4-9/h1-2,5,9,13,15H,3-4,6-8H2
InChIKeyLAXZUZRYGFVEIN-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(cyclobutylmethyl)pyridine-2-sulfonamide
CID 103304498
N-(cyclopropylmethyl)-3-hydrazinylpyridine-2-sulfonamide
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3-chloro-N-cyclopropylpyridine-2-sulfonamide
CID 71646489
3-chloro-N-piperidin-3-ylpyridine-2-sulfonamide
CID 71639797
3-chloro-2-(piperidin-4-ylmethyl)pyridine
CID 115008688
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
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N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide (CID 71639809) is 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide is O=S(=O)(NCC1CCNCC1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is LAXZUZRYGFVEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-10-2-1-5-14-11(10)18(16,17)15-8-9-3-6-13-7-4-9/h1-2,5,9,13,15H,3-4,6-8H2.
What are the key properties of 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide?
3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 71639809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).