N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

C20H24BrN3O3S — CID 43919553

IUPACN-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C20H24BrN3O3S/c1-2-28(26,27)24-12-10-23(11-13-24)15-16-4-3-5-17(14-16)20(25)22-19-8-6-18(21)7-9-19/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyUCBKGNAZCJOFLO-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.17
Rot. Bonds6

About N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide (PubChem CID 43919553) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
PubChem CID43919553
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C20H24BrN3O3S/c1-2-28(26,27)24-12-10-23(11-13-24)15-16-4-3-5-17(14-16)20(25)22-19-8-6-18(21)7-9-19/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyUCBKGNAZCJOFLO-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925182
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 43923906
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
N-butan-2-yl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918442
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 43924692
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181
N-(3-bromophenyl)-3-[(4-butanoylpiperazin-1-yl)methyl]benzamide
CID 130255020
N-(5-chloro-2-methoxyphenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921508
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide (CID 43919553) is N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide is CCS(=O)(=O)N1CCN(Cc2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide?
The InChIKey is UCBKGNAZCJOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-2-28(26,27)24-12-10-23(11-13-24)15-16-4-3-5-17(14-16)20(25)22-19-8-6-18(21)7-9-19/h3-9,14H,2,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide?
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide has a molecular weight of 466.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 43919553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).