3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide

C23H23ClN2O3S — CID 126257588

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c24-21-11-6-20(7-12-21)16-25-23(27)15-10-18-8-13-22(14-9-18)30(28,29)26-17-19-4-2-1-3-5-19/h1-9,11-14,26H,10,15-17H2,(H,25,27)
InChIKeyQDIOBVCVIZTCEY-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.07
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 126257588) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID126257588
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c24-21-11-6-20(7-12-21)16-25-23(27)15-10-18-8-13-22(14-9-18)30(28,29)26-17-19-4-2-1-3-5-19/h1-9,11-14,26H,10,15-17H2,(H,25,27)
InChIKeyQDIOBVCVIZTCEY-UHFFFAOYSA-N
XLogP4.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide (CID 126257588) is 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is QDIOBVCVIZTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c24-21-11-6-20(7-12-21)16-25-23(27)15-10-18-8-13-22(14-9-18)30(28,29)26-17-19-4-2-1-3-5-19/h1-9,11-14,26H,10,15-17H2,(H,25,27).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 442.97 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 126257588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).