3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide

C20H23FN2O4S — CID 97255482

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide
SMILESC[C@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1
InChIInChI=1S/C20H23FN2O4S/c1-14-11-15(9-10-27-14)13-22-20(24)16-3-2-4-19(12-16)28(25,26)23-18-7-5-17(21)6-8-18/h2-8,12,14-15,23H,9-11,13H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyMZDQYVCWXVVXEI-GJZGRUSLSA-N
MW406.48 g/mol
LogP3.17
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide (PubChem CID 97255482) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide
PubChem CID97255482
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide
SMILESC[C@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1
InChIInChI=1S/C20H23FN2O4S/c1-14-11-15(9-10-27-14)13-22-20(24)16-3-2-4-19(12-16)28(25,26)23-18-7-5-17(21)6-8-18/h2-8,12,14-15,23H,9-11,13H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyMZDQYVCWXVVXEI-GJZGRUSLSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide (CID 97255482) is 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide is C[C@H]1C[C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCO1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide?
The InChIKey is MZDQYVCWXVVXEI-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-14-11-15(9-10-27-14)13-22-20(24)16-3-2-4-19(12-16)28(25,26)23-18-7-5-17(21)6-8-18/h2-8,12,14-15,23H,9-11,13H2,1H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.17, 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-[[(2S,4S)-2-methyloxan-4-yl]methyl]benzamide is sourced from PubChem (CID 97255482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).