2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide

C18H18BrClFN3O3S — CID 46801559

IUPAC2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H18BrClFN3O3S/c19-13-2-1-3-15(10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyIINOGGZXXLQIPO-UHFFFAOYSA-N
MW490.78 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide

2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 46801559) has the molecular formula C18H18BrClFN3O3S and a molecular weight of 490.78 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID46801559
Molecular FormulaC18H18BrClFN3O3S
Molecular Weight490.78 g/mol
Exact Mass488.99
IUPAC Name2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H18BrClFN3O3S/c19-13-2-1-3-15(10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyIINOGGZXXLQIPO-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

N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55354494
N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185823
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
CID 40751750
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 31373840
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 5215915
N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide (CID 46801559) is 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is IINOGGZXXLQIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClFN3O3S/c19-13-2-1-3-15(10-13)28(26,27)24-8-6-23(7-9-24)12-18(25)22-17-11-14(20)4-5-16(17)21/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide?
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-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-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 46801559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).