2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide

C17H15FN2O5S — CID 78318477

IUPAC2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1ccccc1F
InChIInChI=1S/C17H15FN2O5S/c18-14-4-2-1-3-13(14)16(21)19-11-5-7-12(8-6-11)26(23,24)20-15-9-10-25-17(15)22/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m0/s1
InChIKeyWQOXQZXBOGWIJR-HNNXBMFYSA-N
MW378.38 g/mol
LogP1.67
Rot. Bonds5

About 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide

2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide (PubChem CID 78318477) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
PubChem CID78318477
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC Name2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1ccccc1F
InChIInChI=1S/C17H15FN2O5S/c18-14-4-2-1-3-13(14)16(21)19-11-5-7-12(8-6-11)26(23,24)20-15-9-10-25-17(15)22/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m0/s1
InChIKeyWQOXQZXBOGWIJR-HNNXBMFYSA-N
XLogP1.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide (CID 78318477) is 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
The InChIKey is WQOXQZXBOGWIJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O5S/c18-14-4-2-1-3-13(14)16(21)19-11-5-7-12(8-6-11)26(23,24)20-15-9-10-25-17(15)22/h1-8,15,20H,9-10H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide?
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide has a molecular weight of 378.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 78318477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).