4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

C21H17ClF2N2O3S — CID 27773510

IUPAC4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17ClF2N2O3S/c1-13(14-2-5-16(23)6-3-14)25-21(27)15-4-11-19(22)20(12-15)26-30(28,29)18-9-7-17(24)8-10-18/h2-13,26H,1H3,(H,25,27)/t13-/m0/s1
InChIKeySTQPLKQPOWVWCC-ZDUSSCGKSA-N
MW450.89 g/mol
LogP4.91
Rot. Bonds6

About 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 27773510) has the molecular formula C21H17ClF2N2O3S and a molecular weight of 450.89 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID27773510
Molecular FormulaC21H17ClF2N2O3S
Molecular Weight450.89 g/mol
Exact Mass450.06
IUPAC Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17ClF2N2O3S/c1-13(14-2-5-16(23)6-3-14)25-21(27)15-4-11-19(22)20(12-15)26-30(28,29)18-9-7-17(24)8-10-18/h2-13,26H,1H3,(H,25,27)/t13-/m0/s1
InChIKeySTQPLKQPOWVWCC-ZDUSSCGKSA-N
XLogP4.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24575226
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 27773510) is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is C[C@H](NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is STQPLKQPOWVWCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3S/c1-13(14-2-5-16(23)6-3-14)25-21(27)15-4-11-19(22)20(12-15)26-30(28,29)18-9-7-17(24)8-10-18/h2-13,26H,1H3,(H,25,27)/t13-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 450.89 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 27773510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).