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

C12H14N2O5S — CID 61131286

IUPACN-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)C1=COCCO1
InChIInChI=1S/C12H14N2O5S/c1-8-6-9(20(13,16)17)2-3-10(8)14-12(15)11-7-18-4-5-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWJDOWDAIRYONCB-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.47
Rot. Bonds3

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

N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 61131286) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID61131286
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)C1=COCCO1
InChIInChI=1S/C12H14N2O5S/c1-8-6-9(20(13,16)17)2-3-10(8)14-12(15)11-7-18-4-5-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWJDOWDAIRYONCB-UHFFFAOYSA-N
XLogP0.47
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17446514
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
2-cyclobutyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 103164399
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 63080493
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103753527
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 61131286) is N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is WJDOWDAIRYONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-8-6-9(20(13,16)17)2-3-10(8)14-12(15)11-7-18-4-5-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 61131286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).