[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone

C17H15BrF2N2O3S — CID 26559299

IUPAC[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H15BrF2N2O3S/c18-12-2-1-3-14(10-12)26(24,25)22-8-6-21(7-9-22)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyRSNPAHOYBSGMRO-UHFFFAOYSA-N
MW445.29 g/mol
LogP2.87
Rot. Bonds3

About [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone

[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 26559299) has the molecular formula C17H15BrF2N2O3S and a molecular weight of 445.29 g/mol. Its IUPAC name is [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID26559299
Molecular FormulaC17H15BrF2N2O3S
Molecular Weight445.29 g/mol
Exact Mass444.00
IUPAC Name[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H15BrF2N2O3S/c18-12-2-1-3-14(10-12)26(24,25)22-8-6-21(7-9-22)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKeyRSNPAHOYBSGMRO-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26310098
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
(5-fluoro-2-methoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31305536
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828067
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
4-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 26559281
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55344306

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone (CID 26559299) is [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is RSNPAHOYBSGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3S/c18-12-2-1-3-14(10-12)26(24,25)22-8-6-21(7-9-22)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2.
What are the key properties of [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 445.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 26559299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).