N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide

C17H23ClN4O3S2 — CID 55861339

IUPACN-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1
InChIInChI=1S/C17H23ClN4O3S2/c1-2-11-27(23,24)20-13-7-9-21(10-8-13)12-22-17(26)25-16(19-22)14-5-3-4-6-15(14)18/h3-6,13,20H,2,7-12H2,1H3
InChIKeyFNKUDRKZQJWCSO-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.28
Rot. Bonds7

About N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55861339) has the molecular formula C17H23ClN4O3S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID55861339
Molecular FormulaC17H23ClN4O3S2
Molecular Weight430.98 g/mol
Exact Mass430.09
IUPAC NameN-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1
InChIInChI=1S/C17H23ClN4O3S2/c1-2-11-27(23,24)20-13-7-9-21(10-8-13)12-22-17(26)25-16(19-22)14-5-3-4-6-15(14)18/h3-6,13,20H,2,7-12H2,1H3
InChIKeyFNKUDRKZQJWCSO-UHFFFAOYSA-N
XLogP3.28
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
CID 740548
5-(2-chlorophenyl)-3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 7298046
N-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 60526396
3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole-2-thione
CID 100882434
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-thione
CID 56794786
3-[(4-methylpiperidin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CID 2878388
N-[1-[[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861590
5-(2-chlorophenyl)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]methyl]-1,3,4-oxadiazole-2-thione
CID 25488812
N-[1-[[5-(3-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]benzamide
CID 26000781
3-[(4-benzylpiperidin-1-yl)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione
CID 23883181
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
7-[4-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 164510729

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide (CID 55861339) is N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1.
What is the InChIKey of N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is FNKUDRKZQJWCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S2/c1-2-11-27(23,24)20-13-7-9-21(10-8-13)12-22-17(26)25-16(19-22)14-5-3-4-6-15(14)18/h3-6,13,20H,2,7-12H2,1H3.
What are the key properties of N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 430.98 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55861339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).