N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H15ClN2O5S — CID 9113985

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl
InChIInChI=1S/C13H15ClN2O5S/c1-16(2)22(18,19)12-7-9(3-4-10(12)14)15-13(17)11-8-20-5-6-21-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyUWSDTRUZXINCBK-UHFFFAOYSA-N
MW346.79 g/mol
LogP1.42
Rot. Bonds4

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 9113985) has the molecular formula C13H15ClN2O5S and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID9113985
Molecular FormulaC13H15ClN2O5S
Molecular Weight346.79 g/mol
Exact Mass346.04
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl
InChIInChI=1S/C13H15ClN2O5S/c1-16(2)22(18,19)12-7-9(3-4-10(12)14)15-13(17)11-8-20-5-6-21-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyUWSDTRUZXINCBK-UHFFFAOYSA-N
XLogP1.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 9113985) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is UWSDTRUZXINCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5S/c1-16(2)22(18,19)12-7-9(3-4-10(12)14)15-13(17)11-8-20-5-6-21-11/h3-4,7-8H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 1.42, 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-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 9113985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).