N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide

C13H18N2O4S — CID 62213044

IUPACN-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-5-6-10(8-12(9)20(14,17)18)15-13(16)11-4-2-3-7-19-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVGVYOYHEZBMHCQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.15
Rot. Bonds3

About N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide

N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide (PubChem CID 62213044) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
PubChem CID62213044
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-5-6-10(8-12(9)20(14,17)18)15-13(16)11-4-2-3-7-19-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyVGVYOYHEZBMHCQ-UHFFFAOYSA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-(3-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62805272
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide (CID 62213044) is N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide is Cc1ccc(NC(=O)C2CCCCO2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide?
The InChIKey is VGVYOYHEZBMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-5-6-10(8-12(9)20(14,17)18)15-13(16)11-4-2-3-7-19-11/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide is sourced from PubChem (CID 62213044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).