N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide

C21H18F2N2O3S — CID 46460775

IUPACN-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14(19-13-16(22)9-12-20(19)23)24-21(26)15-7-10-18(11-8-15)29(27,28)25-17-5-3-2-4-6-17/h2-14,25H,1H3,(H,24,26)
InChIKeyHSWPMSBDCMFSIZ-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide

N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 46460775) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
PubChem CID46460775
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14(19-13-16(22)9-12-20(19)23)24-21(26)15-7-10-18(11-8-15)29(27,28)25-17-5-3-2-4-6-17/h2-14,25H,1H3,(H,24,26)
InChIKeyHSWPMSBDCMFSIZ-UHFFFAOYSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
4-(2-cyanoethylsulfamoyl)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46591250
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24635649
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
N-[1-(2,4-difluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55337082
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide (CID 46460775) is N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is HSWPMSBDCMFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-14(19-13-16(22)9-12-20(19)23)24-21(26)15-7-10-18(11-8-15)29(27,28)25-17-5-3-2-4-6-17/h2-14,25H,1H3,(H,24,26).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide?
N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 46460775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).