3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide

C16H20N4O4S — CID 128998358

IUPAC3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C16H20N4O4S/c1-2-20-10-12(9-18-20)15-14(6-7-24-15)19-25(22,23)13-5-3-4-11(8-13)16(17)21/h3-5,8-10,14-15,19H,2,6-7H2,1H3,(H2,17,21)/t14-,15+/m0/s1
InChIKeyIDCHZGRAOXUVOS-LSDHHAIUSA-N
MW364.43 g/mol
LogP0.81
Rot. Bonds6

About 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide

3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 128998358) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
PubChem CID128998358
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C16H20N4O4S/c1-2-20-10-12(9-18-20)15-14(6-7-24-15)19-25(22,23)13-5-3-4-11(8-13)16(17)21/h3-5,8-10,14-15,19H,2,6-7H2,1H3,(H2,17,21)/t14-,15+/m0/s1
InChIKeyIDCHZGRAOXUVOS-LSDHHAIUSA-N
XLogP0.81
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide (CID 128998358) is 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide is CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is IDCHZGRAOXUVOS-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-20-10-12(9-18-20)15-14(6-7-24-15)19-25(22,23)13-5-3-4-11(8-13)16(17)21/h3-5,8-10,14-15,19H,2,6-7H2,1H3,(H2,17,21)/t14-,15+/m0/s1.
What are the key properties of 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide?
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 128998358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).