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

C14H18N2O4S — CID 64669034

IUPAC4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C14H18N2O4S/c1-10(17)11-3-6-13(7-4-11)21(19,20)15-12-5-8-14(18)16(2)9-12/h3-4,6-7,12,15H,5,8-9H2,1-2H3
InChIKeyWUJNZXSIRNMIPZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.79
Rot. Bonds4

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

4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 64669034) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID64669034
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C14H18N2O4S/c1-10(17)11-3-6-13(7-4-11)21(19,20)15-12-5-8-14(18)16(2)9-12/h3-4,6-7,12,15H,5,8-9H2,1-2H3
InChIKeyWUJNZXSIRNMIPZ-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
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-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16822444
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 64669034) is 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCC(=O)N(C)C2)cc1.
What is the InChIKey of 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is WUJNZXSIRNMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(17)11-3-6-13(7-4-11)21(19,20)15-12-5-8-14(18)16(2)9-12/h3-4,6-7,12,15H,5,8-9H2,1-2H3.
What are the key properties of 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 64669034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).