3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide

C23H23ClN2O3S — CID 126227045

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17-15-20(24)10-13-22(17)26-23(27)14-9-18-7-11-21(12-8-18)30(28,29)25-16-19-5-3-2-4-6-19/h2-8,10-13,15,25H,9,14,16H2,1H3,(H,26,27)
InChIKeyGSEYHTPNAGCDGM-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.70
Rot. Bonds8

About 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 126227045) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID126227045
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17-15-20(24)10-13-22(17)26-23(27)14-9-18-7-11-21(12-8-18)30(28,29)25-16-19-5-3-2-4-6-19/h2-8,10-13,15,25H,9,14,16H2,1H3,(H,26,27)
InChIKeyGSEYHTPNAGCDGM-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide (CID 126227045) is 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is GSEYHTPNAGCDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-17-15-20(24)10-13-22(17)26-23(27)14-9-18-7-11-21(12-8-18)30(28,29)25-16-19-5-3-2-4-6-19/h2-8,10-13,15,25H,9,14,16H2,1H3,(H,26,27).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 442.97 g/mol, XLogP of 4.70, 8 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-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 126227045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).