5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide

C22H21FN2O3S — CID 46522983

IUPAC5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-15-8-13-20(29(27,28)25-19-11-9-18(23)10-12-19)14-21(15)22(26)24-16(2)17-6-4-3-5-7-17/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeySFZJJIRLHYCADI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.43
Rot. Bonds6

About 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide (PubChem CID 46522983) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
PubChem CID46522983
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-15-8-13-20(29(27,28)25-19-11-9-18(23)10-12-19)14-21(15)22(26)24-16(2)17-6-4-3-5-7-17/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeySFZJJIRLHYCADI-UHFFFAOYSA-N
XLogP4.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24625202
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 43019329
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 46598946
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41077425
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide (CID 46522983) is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is SFZJJIRLHYCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-8-13-20(29(27,28)25-19-11-9-18(23)10-12-19)14-21(15)22(26)24-16(2)17-6-4-3-5-7-17/h3-14,16,25H,1-2H3,(H,24,26).
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide?
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46522983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).