N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide

C12H16N2O5S — CID 62805272

IUPACN-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)C2COCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-8-6-9(2-3-11(8)20(13,16)17)14-12(15)10-7-18-4-5-19-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDGLYTPYRGPXRFL-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.00
Rot. Bonds3

About N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide

N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide (PubChem CID 62805272) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
PubChem CID62805272
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC NameN-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)C2COCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-8-6-9(2-3-11(8)20(13,16)17)14-12(15)10-7-18-4-5-19-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyDGLYTPYRGPXRFL-UHFFFAOYSA-N
XLogP-0.00
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
CID 64788498
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-(2-fluoro-5-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62803145
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide (CID 62805272) is N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide is Cc1cc(NC(=O)C2COCCO2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide?
The InChIKey is DGLYTPYRGPXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8-6-9(2-3-11(8)20(13,16)17)14-12(15)10-7-18-4-5-19-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide?
N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 62805272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).