(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H15BrF2N2O3S — CID 34518015

IUPAC(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15BrF2N2O3S/c18-13-4-1-3-12(11-13)17(23)21-7-9-22(10-8-21)26(24,25)16-14(19)5-2-6-15(16)20/h1-6,11H,7-10H2
InChIKeyCKZLMBTYIGTMRB-UHFFFAOYSA-N
MW445.29 g/mol
LogP2.87
Rot. Bonds3

About (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone

(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 34518015) has the molecular formula C17H15BrF2N2O3S and a molecular weight of 445.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID34518015
Molecular FormulaC17H15BrF2N2O3S
Molecular Weight445.29 g/mol
Exact Mass444.00
IUPAC Name(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15BrF2N2O3S/c18-13-4-1-3-12(11-13)17(23)21-7-9-22(10-8-21)26(24,25)16-14(19)5-2-6-15(16)20/h1-6,11H,7-10H2
InChIKeyCKZLMBTYIGTMRB-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

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Related Compounds

(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 166185922
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 17483441
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-chloro-4,5-dimethoxyphenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38565027
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55344306
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9094624
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 31927908

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 34518015) is (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CKZLMBTYIGTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3S/c18-13-4-1-3-12(11-13)17(23)21-7-9-22(10-8-21)26(24,25)16-14(19)5-2-6-15(16)20/h1-6,11H,7-10H2.
What are the key properties of (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]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 (3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 34518015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).