3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C23H24BrN3O5S2 — CID 17192480

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H24BrN3O5S2/c24-19-6-10-21(11-7-19)33(29,30)26-17-15-23(28)27-20-8-12-22(13-9-20)34(31,32)25-16-14-18-4-2-1-3-5-18/h1-13,25-26H,14-17H2,(H,27,28)
InChIKeyUKTMPLWIUGYJOI-UHFFFAOYSA-N
MW566.50 g/mol
LogP3.28
Rot. Bonds11

About 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 17192480) has the molecular formula C23H24BrN3O5S2 and a molecular weight of 566.50 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID17192480
Molecular FormulaC23H24BrN3O5S2
Molecular Weight566.50 g/mol
Exact Mass565.03
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H24BrN3O5S2/c24-19-6-10-21(11-7-19)33(29,30)26-17-15-23(28)27-20-8-12-22(13-9-20)34(31,32)25-16-14-18-4-2-1-3-5-18/h1-13,25-26H,14-17H2,(H,27,28)
InChIKeyUKTMPLWIUGYJOI-UHFFFAOYSA-N
XLogP3.28
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.50
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 17192480) is 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is UKTMPLWIUGYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O5S2/c24-19-6-10-21(11-7-19)33(29,30)26-17-15-23(28)27-20-8-12-22(13-9-20)34(31,32)25-16-14-18-4-2-1-3-5-18/h1-13,25-26H,14-17H2,(H,27,28).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 566.50 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17192480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).