4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide

C25H27N3O4S — CID 71903002

IUPAC4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-23-11-13-24(14-12-23)33(30,31)28-17-15-27(16-18-28)19-20-7-9-21(10-8-20)25(29)26-22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyBCXSPWSVALXQPR-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.45
Rot. Bonds7

About 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide

4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 71903002) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
PubChem CID71903002
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-23-11-13-24(14-12-23)33(30,31)28-17-15-27(16-18-28)19-20-7-9-21(10-8-20)25(29)26-22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyBCXSPWSVALXQPR-UHFFFAOYSA-N
XLogP3.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34684171
methyl 4-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43920302
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-naphthalen-2-ylbenzamide
CID 43919632
4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 16599312
butyl 4-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43925792
N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 140701304
methyl 3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 38105840
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-bromophenyl)benzamide
CID 43919510
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875920

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide (CID 71903002) is 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide is COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is BCXSPWSVALXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-23-11-13-24(14-12-23)33(30,31)28-17-15-27(16-18-28)19-20-7-9-21(10-8-20)25(29)26-22-5-3-2-4-6-22/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide?
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 71903002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).