N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C17H17FN2O4S — CID 118396958

IUPACN-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-13-4-6-14(7-5-13)19-17(21)12-2-1-3-16(10-12)25(22,23)20-15-8-9-24-11-15/h1-7,10,15,20H,8-9,11H2,(H,19,21)/t15-/m0/s1
InChIKeyBXEPLPXHIZXQSO-HNNXBMFYSA-N
MW364.40 g/mol
LogP2.15
Rot. Bonds5

About N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 118396958) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID118396958
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H17FN2O4S/c18-13-4-6-14(7-5-13)19-17(21)12-2-1-3-16(10-12)25(22,23)20-15-8-9-24-11-15/h1-7,10,15,20H,8-9,11H2,(H,19,21)/t15-/m0/s1
InChIKeyBXEPLPXHIZXQSO-HNNXBMFYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
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CID 4115155

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 118396958) is N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is BXEPLPXHIZXQSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-13-4-6-14(7-5-13)19-17(21)12-2-1-3-16(10-12)25(22,23)20-15-8-9-24-11-15/h1-7,10,15,20H,8-9,11H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 364.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 118396958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).