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

C19H21BrFN3O3S — CID 4824621

IUPACN-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21BrFN3O3S/c1-14(19(25)22-17-6-2-15(20)3-7-17)23-10-12-24(13-11-23)28(26,27)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyHECWUMMTFWKXIA-UHFFFAOYSA-N
MW470.36 g/mol
LogP2.92
Rot. Bonds5

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

N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 4824621) has the molecular formula C19H21BrFN3O3S and a molecular weight of 470.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID4824621
Molecular FormulaC19H21BrFN3O3S
Molecular Weight470.36 g/mol
Exact Mass469.05
IUPAC NameN-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21BrFN3O3S/c1-14(19(25)22-17-6-2-15(20)3-7-17)23-10-12-24(13-11-23)28(26,27)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyHECWUMMTFWKXIA-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 25497744
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 4824621) is N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is HECWUMMTFWKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O3S/c1-14(19(25)22-17-6-2-15(20)3-7-17)23-10-12-24(13-11-23)28(26,27)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 470.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 4824621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).