3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C25H27N3O4S — CID 984423

IUPAC3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-32-23-8-5-9-24(18-23)33(30,31)26-19-20-10-12-21(13-11-20)25(29)28-16-14-27(15-17-28)22-6-3-2-4-7-22/h2-13,18,26H,14-17,19H2,1H3
InChIKeyAEXGSBAAWWQLDS-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.14
Rot. Bonds7

About 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 984423) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID984423
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-32-23-8-5-9-24(18-23)33(30,31)26-19-20-10-12-21(13-11-20)25(29)28-16-14-27(15-17-28)22-6-3-2-4-7-22/h2-13,18,26H,14-17,19H2,1H3
InChIKeyAEXGSBAAWWQLDS-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9959421
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 984423) is 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is AEXGSBAAWWQLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-23-8-5-9-24(18-23)33(30,31)26-19-20-10-12-21(13-11-20)25(29)28-16-14-27(15-17-28)22-6-3-2-4-7-22/h2-13,18,26H,14-17,19H2,1H3.
What are the key properties of 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).