N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide

C12H16ClN3O3S — CID 81227485

IUPACN-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)15-9-3-2-6-16(8-9)12(17)10-7-14-5-4-11(10)13/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyDZMLRYNICBUPDY-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.89
Rot. Bonds3

About N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 81227485) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID81227485
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)15-9-3-2-6-16(8-9)12(17)10-7-14-5-4-11(10)13/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyDZMLRYNICBUPDY-UHFFFAOYSA-N
XLogP0.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chloro-6-methylpyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81231053
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079432
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide (CID 81227485) is N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2cnccc2Cl)C1.
What is the InChIKey of N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is DZMLRYNICBUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-20(18,19)15-9-3-2-6-16(8-9)12(17)10-7-14-5-4-11(10)13/h4-5,7,9,15H,2-3,6,8H2,1H3.
What are the key properties of N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 81227485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).