N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H20N2O5S — CID 2314955

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=COCCO1
InChIInChI=1S/C16H20N2O5S/c19-16(15-12-22-10-11-23-15)17-13-4-6-14(7-5-13)24(20,21)18-8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,17,19)
InChIKeyZYEUKJKYGKZUID-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.69
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 2314955) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID2314955
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=COCCO1
InChIInChI=1S/C16H20N2O5S/c19-16(15-12-22-10-11-23-15)17-13-4-6-14(7-5-13)24(20,21)18-8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,17,19)
InChIKeyZYEUKJKYGKZUID-UHFFFAOYSA-N
XLogP1.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686545
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8850598
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2704625
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 22108903
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 2314955) is N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=COCCO1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ZYEUKJKYGKZUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c19-16(15-12-22-10-11-23-15)17-13-4-6-14(7-5-13)24(20,21)18-8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,17,19).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 2314955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).