3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

C25H27N3O4S — CID 55334117

IUPAC3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-26(21-8-4-3-5-9-21)33(30,31)24-10-6-7-20(19-24)25(29)28-17-15-27(16-18-28)22-11-13-23(32-2)14-12-22/h3-14,19H,15-18H2,1-2H3
InChIKeyUUFSZOVGIGKCJQ-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.48
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 55334117) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID55334117
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-26(21-8-4-3-5-9-21)33(30,31)24-10-6-7-20(19-24)25(29)28-17-15-27(16-18-28)22-11-13-23(32-2)14-12-22/h3-14,19H,15-18H2,1-2H3
InChIKeyUUFSZOVGIGKCJQ-UHFFFAOYSA-N
XLogP3.48
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 2664335
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017
N-methoxy-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55919176
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
3-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 46669783
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55902036
3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55517416
3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55905416
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (CID 55334117) is 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is UUFSZOVGIGKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-26(21-8-4-3-5-9-21)33(30,31)24-10-6-7-20(19-24)25(29)28-17-15-27(16-18-28)22-11-13-23(32-2)14-12-22/h3-14,19H,15-18H2,1-2H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 55334117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).