N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide

C17H22N4O2S — CID 94615297

IUPACN-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
SMILESN#CCC[C@@H](C#N)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2S/c18-10-4-5-15(13-19)14-21-11-8-16(9-12-21)20-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,20H,4-5,8-9,11-12,14H2/t15-/m0/s1
InChIKeyMZRKPSCNCYRRBL-HNNXBMFYSA-N
MW346.46 g/mol
LogP1.87
Rot. Bonds7

About N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide

N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 94615297) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
PubChem CID94615297
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
SMILESN#CCC[C@@H](C#N)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2S/c18-10-4-5-15(13-19)14-21-11-8-16(9-12-21)20-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,20H,4-5,8-9,11-12,14H2/t15-/m0/s1
InChIKeyMZRKPSCNCYRRBL-HNNXBMFYSA-N
XLogP1.87
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-[1-(cyanomethyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 63625036
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
CID 94393048
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97011968
N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 10115587
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 86829417

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide (CID 94615297) is N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide is N#CCC[C@@H](C#N)CN1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is MZRKPSCNCYRRBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c18-10-4-5-15(13-19)14-21-11-8-16(9-12-21)20-24(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16,20H,4-5,8-9,11-12,14H2/t15-/m0/s1.
What are the key properties of N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 94615297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).