3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C18H19FN2O4S — CID 25162664

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22)
InChIKeyINIVRCKFVCEOOY-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.54
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 25162664) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID25162664
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22)
InChIKeyINIVRCKFVCEOOY-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 25162664) is 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is INIVRCKFVCEOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 25162664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).