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

C16H19ClN2O5S — CID 18170450

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1=COCCO1
InChIInChI=1S/C16H19ClN2O5S/c17-13-5-4-12(18-16(20)14-11-23-8-9-24-14)10-15(13)25(21,22)19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,18,20)
InChIKeyDYVHHBUITIDHOJ-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.34
Rot. Bonds4

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

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18170450) has the molecular formula C16H19ClN2O5S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18170450
Molecular FormulaC16H19ClN2O5S
Molecular Weight386.86 g/mol
Exact Mass386.07
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1=COCCO1
InChIInChI=1S/C16H19ClN2O5S/c17-13-5-4-12(18-16(20)14-11-23-8-9-24-14)10-15(13)25(21,22)19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,18,20)
InChIKeyDYVHHBUITIDHOJ-UHFFFAOYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18170450) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1=COCCO1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is DYVHHBUITIDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S/c17-13-5-4-12(18-16(20)14-11-23-8-9-24-14)10-15(13)25(21,22)19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,18,20).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18170450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).