3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide

C22H21FN2O3S — CID 9302470

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-16(17-6-3-2-4-7-17)15-24-22(26)18-8-5-9-21(14-18)29(27,28)25-20-12-10-19(23)11-13-20/h2-14,16,25H,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyPTNVISPLMFQDFQ-MRXNPFEDSA-N
MW412.49 g/mol
LogP4.16
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 9302470) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID9302470
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-16(17-6-3-2-4-7-17)15-24-22(26)18-8-5-9-21(14-18)29(27,28)25-20-12-10-19(23)11-13-20/h2-14,16,25H,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyPTNVISPLMFQDFQ-MRXNPFEDSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55588965
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide (CID 9302470) is 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide is C[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is PTNVISPLMFQDFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-16(17-6-3-2-4-7-17)15-24-22(26)18-8-5-9-21(14-18)29(27,28)25-20-12-10-19(23)11-13-20/h2-14,16,25H,15H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 9302470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).