N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H14N2O6S — CID 60631239

IUPACN-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2=COCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O6S/c1-18-9-3-2-8(6-11(9)21(13,16)17)14-12(15)10-7-19-4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyLHVMSWBCSAWFKL-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.17
Rot. Bonds4

About N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 60631239) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID60631239
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2=COCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O6S/c1-18-9-3-2-8(6-11(9)21(13,16)17)14-12(15)10-7-19-4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyLHVMSWBCSAWFKL-UHFFFAOYSA-N
XLogP0.17
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61240817
N-(4-methoxy-3-sulfamoylphenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 26782025
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
N-(5-tert-butyl-2-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7718762
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
N-(4-methoxy-3-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742535
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686545

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 60631239) is N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(NC(=O)C2=COCCO2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is LHVMSWBCSAWFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-18-9-3-2-8(6-11(9)21(13,16)17)14-12(15)10-7-19-4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 60631239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).