4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C13H15N3O3S — CID 79195462

IUPAC4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C13H15N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7,9H2,(H,15,17)
InChIKeySYTLPDDPJFTQBP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.31
Rot. Bonds4

About 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide

4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 79195462) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID79195462
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C13H15N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7,9H2,(H,15,17)
InChIKeySYTLPDDPJFTQBP-UHFFFAOYSA-N
XLogP0.31
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-(cyanomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 115671934
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 3770703
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145648
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62093994

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 79195462) is 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide is N#CCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is SYTLPDDPJFTQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7,9H2,(H,15,17).
What are the key properties of 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79195462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).