N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

C15H19N3O3S — CID 110615020

IUPACN-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-15(2,11-16)17-22(20,21)13-8-6-12(7-9-13)18-10-4-3-5-14(18)19/h6-9,17H,3-5,10H2,1-2H3
InChIKeyASEYWXPNLUWSFC-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.78
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110615020) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110615020
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C15H19N3O3S/c1-15(2,11-16)17-22(20,21)13-8-6-12(7-9-13)18-10-4-3-5-14(18)19/h6-9,17H,3-5,10H2,1-2H3
InChIKeyASEYWXPNLUWSFC-UHFFFAOYSA-N
XLogP1.78
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
1-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrrolidin-2-one
CID 144718522
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110615020) is N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is CC(C)(C#N)NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is ASEYWXPNLUWSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2,11-16)17-22(20,21)13-8-6-12(7-9-13)18-10-4-3-5-14(18)19/h6-9,17H,3-5,10H2,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110615020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).