5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H20ClN3O3S — CID 64607148

IUPAC5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3O3S/c1-16-5-3-10(4-6-16)9-17(2)21(19,20)11-7-12(14)13(18)15-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyLXZWCBDYGAGWIV-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.99
Rot. Bonds4

About 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607148) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607148
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3O3S/c1-16-5-3-10(4-6-16)9-17(2)21(19,20)11-7-12(14)13(18)15-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyLXZWCBDYGAGWIV-UHFFFAOYSA-N
XLogP0.99
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.99
H-Bond Donors ≤ 51
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
3-chloro-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 65531428
N,N-dimethyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxopyridine-3-sulfonamide
CID 9193537
5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629028
5-(3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629050
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629223
N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide
CID 43629351
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
3-((4-Methylpiperidin-1-yl)sulfonyl)pyridin-2(1H)-one
CID 51358743
5-(4-ethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 54877058
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 55156331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64607148) is 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CN1CCC(CN(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is LXZWCBDYGAGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-16-5-3-10(4-6-16)9-17(2)21(19,20)11-7-12(14)13(18)15-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 333.84 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).