3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide

C19H21BrFN3O3S — CID 4207271

IUPAC3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21BrFN3O3S/c20-15-5-7-16(8-6-15)28(26,27)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyVDABICSRKNGAFR-UHFFFAOYSA-N
MW470.36 g/mol
LogP2.92
Rot. Bonds6

About 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide

3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 4207271) has the molecular formula C19H21BrFN3O3S and a molecular weight of 470.36 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID4207271
Molecular FormulaC19H21BrFN3O3S
Molecular Weight470.36 g/mol
Exact Mass469.05
IUPAC Name3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21BrFN3O3S/c20-15-5-7-16(8-6-15)28(26,27)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyVDABICSRKNGAFR-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3236097
1-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-4-phenylpiperazine
CID 3239364
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(3-{4-[4-(4-fluoro-benzenesulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10253106
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
N-{4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenyl}-propionamide
CID 1091555
4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
CID 2216524
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 2711536
1-[(4-bromophenyl)sulfonyl]-N-(4-fluorophenyl)-2-pyrrolidinecarboxamide
CID 2768766
N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2956678
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2991092

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 4207271) is 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide is O=C(CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is VDABICSRKNGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O3S/c20-15-5-7-16(8-6-15)28(26,27)24-13-11-23(12-14-24)10-9-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide?
3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 470.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 4207271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).