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

C13H18N2O4S — CID 63015081

IUPACN-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCOC2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-7-11(4-5-12(9)20(14,17)18)15-13(16)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUCMOHLHFUBIFLK-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.01
Rot. Bonds3

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

N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide (PubChem CID 63015081) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
PubChem CID63015081
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCOC2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-7-11(4-5-12(9)20(14,17)18)15-13(16)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyUCMOHLHFUBIFLK-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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-methyl-4-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62805272
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
2-methyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906863
3-[2-methyl-5-(oxane-3-carbonylamino)phenyl]prop-2-enoic acid
CID 77011669
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide (CID 63015081) is N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide is Cc1cc(NC(=O)C2CCCOC2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide?
The InChIKey is UCMOHLHFUBIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-7-11(4-5-12(9)20(14,17)18)15-13(16)10-3-2-6-19-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide?
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 63015081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).