N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide

C13H18N2O4S — CID 61277687

IUPACN-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCOC1
InChIInChI=1S/C13H18N2O4S/c1-8-5-11(20(14,17)18)6-9(2)12(8)15-13(16)10-3-4-19-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJAXHHVJHAFFLTR-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.93
Rot. Bonds3

About N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide

N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide (PubChem CID 61277687) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
PubChem CID61277687
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCOC1
InChIInChI=1S/C13H18N2O4S/c1-8-5-11(20(14,17)18)6-9(2)12(8)15-13(16)10-3-4-19-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJAXHHVJHAFFLTR-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
3-chloro-5-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 66262669
3,5-dimethyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62907041
3,5-dimethyl-4-(oxane-3-carbonylamino)benzenesulfonyl chloride
CID 63011502
N-(2-ethyl-6-methyl-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43246565
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
CID 116813691
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
CID 61272365
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 63945642
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide (CID 61277687) is N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(C)c1NC(=O)C1CCOC1.
What is the InChIKey of N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide?
The InChIKey is JAXHHVJHAFFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-5-11(20(14,17)18)6-9(2)12(8)15-13(16)10-3-4-19-7-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide?
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61277687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).