N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide

C21H23N3O3S — CID 25160425

IUPACN-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)CC1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14(2)28(26,27)24-20-13-23-21(25)11-19(20)18-9-7-17(8-10-18)16-5-3-15(12-22)4-6-16/h3-10,14,19-20,24H,11,13H2,1-2H3,(H,23,25)
InChIKeyOOSYEQOBTZAQLJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.53
Rot. Bonds5

About N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide

N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide (PubChem CID 25160425) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
PubChem CID25160425
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)CC1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14(2)28(26,27)24-20-13-23-21(25)11-19(20)18-9-7-17(8-10-18)16-5-3-15(12-22)4-6-16/h3-10,14,19-20,24H,11,13H2,1-2H3,(H,23,25)
InChIKeyOOSYEQOBTZAQLJ-UHFFFAOYSA-N
XLogP2.53
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-isocyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
CID 59185702
N-[(3R,4R)-3-[4-(4-cyanophenyl)phenyl]piperidin-4-yl]propane-2-sulfonamide
CID 131739520
N-[(3S,4R)-3-[4-(4-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 58350014
N-[4-[4-(4-cyanophenyl)phenyl]-1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-yl]propane-2-sulfonamide
CID 70917891
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222
N-[(2R,3R)-2-[4-(5-cyanothiophen-2-yl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide
CID 67311914
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
N-[2-oxo-6-[4-(4-thiophen-3-ylphenyl)phenyl]-1,3-oxazinan-5-yl]propane-2-sulfonamide
CID 25160557
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 68550671
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 69112377
4-[4-[(3S,4R)-4-(propan-2-ylsulfonylmethyl)oxan-3-yl]phenyl]benzonitrile
CID 58350000

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide (CID 25160425) is N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CNC(=O)CC1c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
The InChIKey is OOSYEQOBTZAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14(2)28(26,27)24-20-13-23-21(25)11-19(20)18-9-7-17(8-10-18)16-5-3-15(12-22)4-6-16/h3-10,14,19-20,24H,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide?
N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-cyanophenyl)phenyl]-6-oxopiperidin-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 25160425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).