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

C18H18BrClFN3O3S — CID 29351809

IUPAC2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18BrClFN3O3S/c19-13-4-5-17(16(20)10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-15-3-1-2-14(21)11-15/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyRDMFDKWLDJRLKA-UHFFFAOYSA-N
MW490.78 g/mol
LogP3.19
Rot. Bonds5

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

2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 29351809) has the molecular formula C18H18BrClFN3O3S and a molecular weight of 490.78 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID29351809
Molecular FormulaC18H18BrClFN3O3S
Molecular Weight490.78 g/mol
Exact Mass488.99
IUPAC Name2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18BrClFN3O3S/c19-13-4-5-17(16(20)10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-15-3-1-2-14(21)11-15/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyRDMFDKWLDJRLKA-UHFFFAOYSA-N
XLogP3.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 5093122
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
N-(3-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8800587
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 29351809) is 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is RDMFDKWLDJRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClFN3O3S/c19-13-4-5-17(16(20)10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-15-3-1-2-14(21)11-15/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 490.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 29351809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).