2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide

C16H17BrFN3O3S2 — CID 29354188

IUPAC2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17BrFN3O3S2/c17-14-5-6-16(25-14)26(23,24)21-9-7-20(8-10-21)11-15(22)19-13-3-1-12(18)2-4-13/h1-6H,7-11H2,(H,19,22)
InChIKeyOVAVBYYRZKDSBB-UHFFFAOYSA-N
MW462.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 29354188) has the molecular formula C16H17BrFN3O3S2 and a molecular weight of 462.37 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID29354188
Molecular FormulaC16H17BrFN3O3S2
Molecular Weight462.37 g/mol
Exact Mass460.99
IUPAC Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17BrFN3O3S2/c17-14-5-6-16(25-14)26(23,24)21-9-7-20(8-10-21)11-15(22)19-13-3-1-12(18)2-4-13/h1-6H,7-11H2,(H,19,22)
InChIKeyOVAVBYYRZKDSBB-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
1-(5-bromothiophen-2-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2018945
methyl 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 55366799
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 38797770
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 17492761
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53119117
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 29354188) is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OVAVBYYRZKDSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O3S2/c17-14-5-6-16(25-14)26(23,24)21-9-7-20(8-10-21)11-15(22)19-13-3-1-12(18)2-4-13/h1-6H,7-11H2,(H,19,22).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 462.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 29354188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).