N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide

C11H16ClN3O2S — CID 54972113

IUPACN-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2S/c12-10-3-4-11(14-7-10)15-18(16,17)8-9-2-1-5-13-6-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,14,15)
InChIKeyKEDJYPLMLJQNKJ-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.48
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide

N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972113) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972113
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2S/c12-10-3-4-11(14-7-10)15-18(16,17)8-9-2-1-5-13-6-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,14,15)
InChIKeyKEDJYPLMLJQNKJ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
CID 114912971
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
(5-chloro-2-pyridinyl)carbamoyl 2-pyrrolidin-3-ylacetate
CID 175726244
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide (CID 54972113) is N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide is O=S(=O)(CC1CCCNC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is KEDJYPLMLJQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c12-10-3-4-11(14-7-10)15-18(16,17)8-9-2-1-5-13-6-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,14,15).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide?
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).