3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide

C17H22N4O4S — CID 97192159

IUPAC3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1
InChIInChI=1S/C17H22N4O4S/c22-17(18-8-10-21-9-3-7-19-21)14-4-1-6-16(12-14)26(23,24)20-15-5-2-11-25-13-15/h1,3-4,6-7,9,12,15,20H,2,5,8,10-11,13H2,(H,18,22)/t15-/m0/s1
InChIKeyJZLUPKRHOVUXAY-HNNXBMFYSA-N
MW378.45 g/mol
LogP0.77
Rot. Bonds7

About 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide

3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 97192159) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID97192159
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1
InChIInChI=1S/C17H22N4O4S/c22-17(18-8-10-21-9-3-7-19-21)14-4-1-6-16(12-14)26(23,24)20-15-5-2-11-25-13-15/h1,3-4,6-7,9,12,15,20H,2,5,8,10-11,13H2,(H,18,22)/t15-/m0/s1
InChIKeyJZLUPKRHOVUXAY-HNNXBMFYSA-N
XLogP0.77
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
CID 163340405
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
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3-(cyclopentylsulfamoyl)-N-ethylbenzamide
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3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
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N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
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CID 97192873

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide (CID 97192159) is 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide is O=C(NCCn1cccn1)c1cccc(S(=O)(=O)N[C@H]2CCCOC2)c1.
What is the InChIKey of 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is JZLUPKRHOVUXAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-17(18-8-10-21-9-3-7-19-21)14-4-1-6-16(12-14)26(23,24)20-15-5-2-11-25-13-15/h1,3-4,6-7,9,12,15,20H,2,5,8,10-11,13H2,(H,18,22)/t15-/m0/s1.
What are the key properties of 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide?
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 97192159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).