5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide

C12H18ClN3O3S — CID 114505759

IUPAC5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-8-7-16(2)4-3-11(8)15-20(18,19)9-5-10(13)12(17)14-6-9/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyYPKMDUQEMVRPPD-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.65
Rot. Bonds3

About 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114505759) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114505759
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-8-7-16(2)4-3-11(8)15-20(18,19)9-5-10(13)12(17)14-6-9/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyYPKMDUQEMVRPPD-UHFFFAOYSA-N
XLogP0.65
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629028
5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629050
N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629125
N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629187
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629223
N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629299
N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 43629367
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
5-(3-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629465
5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 43629467
5-(4-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 54877058

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 114505759) is 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YPKMDUQEMVRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-8-7-16(2)4-3-11(8)15-20(18,19)9-5-10(13)12(17)14-6-9/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114505759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).