4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

C12H16N2O4S — CID 64670246

IUPAC4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(O)cc2)CCC1=O
InChIInChI=1S/C12H16N2O4S/c1-14-8-9(2-7-12(14)16)13-19(17,18)11-5-3-10(15)4-6-11/h3-6,9,13,15H,2,7-8H2,1H3
InChIKeySGAFOFMOBJFUOZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.29
Rot. Bonds3

About 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 64670246) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID64670246
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(O)cc2)CCC1=O
InChIInChI=1S/C12H16N2O4S/c1-14-8-9(2-7-12(14)16)13-19(17,18)11-5-3-10(15)4-6-11/h3-6,9,13,15H,2,7-8H2,1H3
InChIKeySGAFOFMOBJFUOZ-UHFFFAOYSA-N
XLogP0.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 64669013
5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64654475
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 172658409
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
2-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-1-benzothiophene-3-sulfonamide
CID 97030606
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 64669398

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 64670246) is 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2ccc(O)cc2)CCC1=O.
What is the InChIKey of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is SGAFOFMOBJFUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-14-8-9(2-7-12(14)16)13-19(17,18)11-5-3-10(15)4-6-11/h3-6,9,13,15H,2,7-8H2,1H3.
What are the key properties of 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 64670246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).