N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide

C13H18N2O4S — CID 3155150

IUPACN-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-19-12/h3-6,12H,1-2,7-9H2,(H,15,16)(H2,14,17,18)
InChIKeyXYZNRFUYDHNPBE-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.17
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 3155150) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID3155150
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-19-12/h3-6,12H,1-2,7-9H2,(H,15,16)(H2,14,17,18)
InChIKeyXYZNRFUYDHNPBE-UHFFFAOYSA-N
XLogP0.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide (CID 3155150) is N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is XYZNRFUYDHNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(17,18)11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-19-12/h3-6,12H,1-2,7-9H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 3155150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).