3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide

C23H23FN2O4S — CID 27853826

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-22(16-7-13-20(30-2)14-8-16)25-23(27)17-5-4-6-21(15-17)31(28,29)26-19-11-9-18(24)10-12-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyIGDGEDORABMYLW-QFIPXVFZSA-N
MW442.51 g/mol
LogP4.52
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 27853826) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
PubChem CID27853826
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-22(16-7-13-20(30-2)14-8-16)25-23(27)17-5-4-6-21(15-17)31(28,29)26-19-11-9-18(24)10-12-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyIGDGEDORABMYLW-QFIPXVFZSA-N
XLogP4.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
3-[(4-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55985947
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(2-fluorophenyl)sulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132667869
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide (CID 27853826) is 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide is CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(OC)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is IGDGEDORABMYLW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-3-22(16-7-13-20(30-2)14-8-16)25-23(27)17-5-4-6-21(15-17)31(28,29)26-19-11-9-18(24)10-12-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 442.51 g/mol, XLogP of 4.52, 8 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-[(1S)-1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 27853826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).