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

C19H20BrF2N3O3S — CID 24588947

IUPACN-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H20BrF2N3O3S/c20-14-4-5-18(17(22)12-14)23-19(26)6-7-24-8-10-25(11-9-24)29(27,28)16-3-1-2-15(21)13-16/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyPEFKHOKQTLTWOF-UHFFFAOYSA-N
MW488.35 g/mol
LogP3.06
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 24588947) has the molecular formula C19H20BrF2N3O3S and a molecular weight of 488.35 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID24588947
Molecular FormulaC19H20BrF2N3O3S
Molecular Weight488.35 g/mol
Exact Mass487.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H20BrF2N3O3S/c20-14-4-5-18(17(22)12-14)23-19(26)6-7-24-8-10-25(11-9-24)29(27,28)16-3-1-2-15(21)13-16/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyPEFKHOKQTLTWOF-UHFFFAOYSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-(4-chloro-2-fluorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24589202
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46801559
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
N-(4-bromo-2-fluorophenyl)-3-[4-(oxolan-3-yl)piperazin-1-yl]propanamide
CID 71846087
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 24588947) is N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is PEFKHOKQTLTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N3O3S/c20-14-4-5-18(17(22)12-14)23-19(26)6-7-24-8-10-25(11-9-24)29(27,28)16-3-1-2-15(21)13-16/h1-5,12-13H,6-11H2,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 488.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 24588947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).