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

C18H18N2O5S — CID 2970623

IUPACN-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-17(13-5-2-1-3-6-13)20-26(23,24)15-10-8-14(9-11-15)19-18(22)16-7-4-12-25-16/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,22)(H,20,21)
InChIKeyGXVKYWLFDPWDFG-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.92
Rot. Bonds5

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

N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 2970623) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
PubChem CID2970623
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-17(13-5-2-1-3-6-13)20-26(23,24)15-10-8-14(9-11-15)19-18(22)16-7-4-12-25-16/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,22)(H,20,21)
InChIKeyGXVKYWLFDPWDFG-UHFFFAOYSA-N
XLogP1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide (CID 2970623) is N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide is O=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is GXVKYWLFDPWDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-17(13-5-2-1-3-6-13)20-26(23,24)15-10-8-14(9-11-15)19-18(22)16-7-4-12-25-16/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzoylsulfamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2970623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).