N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide

C19H22F2N4O3S — CID 60500673

IUPACN-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H22F2N4O3S/c1-13(19(26)23-18-12-14(20)2-7-17(18)21)24-8-10-25(11-9-24)15-3-5-16(6-4-15)29(22,27)28/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyZPRAGMXIWGWMJQ-UHFFFAOYSA-N
MW424.47 g/mol
LogP1.76
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide

N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (PubChem CID 60500673) has the molecular formula C19H22F2N4O3S and a molecular weight of 424.47 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
PubChem CID60500673
Molecular FormulaC19H22F2N4O3S
Molecular Weight424.47 g/mol
Exact Mass424.14
IUPAC NameN-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H22F2N4O3S/c1-13(19(26)23-18-12-14(20)2-7-17(18)21)24-8-10-25(11-9-24)15-3-5-16(6-4-15)29(22,27)28/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyZPRAGMXIWGWMJQ-UHFFFAOYSA-N
XLogP1.76
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500734
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444969
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (CID 60500673) is N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The InChIKey is ZPRAGMXIWGWMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3S/c1-13(19(26)23-18-12-14(20)2-7-17(18)21)24-8-10-25(11-9-24)15-3-5-16(6-4-15)29(22,27)28/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H2,22,27,28).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide has a molecular weight of 424.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60500673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).