N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide

C13H18N2O4S — CID 38337879

IUPACN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(18,19)10-6-7-12(16)11(8-10)14-13(17)9-4-3-5-9/h6-9,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyDHVLWKISFWYGTI-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.38
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide

N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide (PubChem CID 38337879) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide
PubChem CID38337879
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-15(2)20(18,19)10-6-7-12(16)11(8-10)14-13(17)9-4-3-5-9/h6-9,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyDHVLWKISFWYGTI-UHFFFAOYSA-N
XLogP1.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide (CID 38337879) is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide is CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCC2)c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide?
The InChIKey is DHVLWKISFWYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(2)20(18,19)10-6-7-12(16)11(8-10)14-13(17)9-4-3-5-9/h6-9,16H,3-5H2,1-2H3,(H,14,17).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide?
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 38337879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).