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

C15H19ClN2O5S — CID 24979207

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-3-18(4-2)24(20,21)14-9-11(5-6-12(14)16)17-15(19)13-10-22-7-8-23-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyQUDRWDUMRBEUNM-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.20
Rot. Bonds6

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

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24979207) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24979207
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-3-18(4-2)24(20,21)14-9-11(5-6-12(14)16)17-15(19)13-10-22-7-8-23-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyQUDRWDUMRBEUNM-UHFFFAOYSA-N
XLogP2.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.20
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-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24979207) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=COCCO2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QUDRWDUMRBEUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-3-18(4-2)24(20,21)14-9-11(5-6-12(14)16)17-15(19)13-10-22-7-8-23-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24979207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).