3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide

C22H21BrN2O3S — CID 126256740

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C22H21BrN2O3S/c23-19-7-4-8-20(15-19)25-22(26)14-11-17-9-12-21(13-10-17)29(27,28)24-16-18-5-2-1-3-6-18/h1-10,12-13,15,24H,11,14,16H2,(H,25,26)
InChIKeyRBGBWLQVZSUGEA-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.50
Rot. Bonds8

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

3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide (PubChem CID 126256740) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
PubChem CID126256740
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C22H21BrN2O3S/c23-19-7-4-8-20(15-19)25-22(26)14-11-17-9-12-21(13-10-17)29(27,28)24-16-18-5-2-1-3-6-18/h1-10,12-13,15,24H,11,14,16H2,(H,25,26)
InChIKeyRBGBWLQVZSUGEA-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995
N-[(3-bromophenyl)carbamothioyl]-3-phenylpropanamide
CID 2226419

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide (CID 126256740) is 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Br)c1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide?
The InChIKey is RBGBWLQVZSUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c23-19-7-4-8-20(15-19)25-22(26)14-11-17-9-12-21(13-10-17)29(27,28)24-16-18-5-2-1-3-6-18/h1-10,12-13,15,24H,11,14,16H2,(H,25,26).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide has a molecular weight of 473.39 g/mol, XLogP of 4.50, 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-(3-bromophenyl)propanamide is sourced from PubChem (CID 126256740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).