[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone

C29H34N4O3S — CID 43922265

IUPAC[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H34N4O3S/c34-29(32-19-15-30(16-20-32)23-25-7-3-1-4-8-25)27-13-11-26(12-14-27)24-31-17-21-33(22-18-31)37(35,36)28-9-5-2-6-10-28/h1-14H,15-24H2
InChIKeyRICPYNCSDPEOPO-UHFFFAOYSA-N
MW518.68 g/mol
LogP3.15
Rot. Bonds7

About [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone

[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 43922265) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID43922265
Molecular FormulaC29H34N4O3S
Molecular Weight518.68 g/mol
Exact Mass518.24
IUPAC Name[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H34N4O3S/c34-29(32-19-15-30(16-20-32)23-25-7-3-1-4-8-25)27-13-11-26(12-14-27)24-31-17-21-33(22-18-31)37(35,36)28-9-5-2-6-10-28/h1-14H,15-24H2
InChIKeyRICPYNCSDPEOPO-UHFFFAOYSA-N
XLogP3.15
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.68
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid
CID 120613639
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-propan-2-ylbenzamide
CID 43918409
[4-(piperidin-1-ylmethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24654694
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methanone
CID 92673416
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone (CID 43922265) is [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone is O=C(c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is RICPYNCSDPEOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S/c34-29(32-19-15-30(16-20-32)23-25-7-3-1-4-8-25)27-13-11-26(12-14-27)24-31-17-21-33(22-18-31)37(35,36)28-9-5-2-6-10-28/h1-14H,15-24H2.
What are the key properties of [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone?
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 518.68 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 43922265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).