N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide

C17H26N2O4S — CID 5132730

IUPACN-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-5-12-18-24(21,22)15-10-8-14(9-11-15)19-17(20)16-7-6-13-23-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyAPXMICVTOJLGHL-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.66
Rot. Bonds9

About N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide

N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 5132730) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide
PubChem CID5132730
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-5-12-18-24(21,22)15-10-8-14(9-11-15)19-17(20)16-7-6-13-23-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyAPXMICVTOJLGHL-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide (CID 5132730) is N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is APXMICVTOJLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-3-4-5-12-18-24(21,22)15-10-8-14(9-11-15)19-17(20)16-7-6-13-23-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20).
What are the key properties of N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 5132730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).