3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

C20H25N3O4S — CID 2664335

IUPAC3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-21(2)28(25,26)19-6-4-5-16(15-19)20(24)23-13-11-22(12-14-23)17-7-9-18(27-3)10-8-17/h4-10,15H,11-14H2,1-3H3
InChIKeyMZYQOLRGMDOTAN-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.91
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 2664335) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
PubChem CID2664335
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-21(2)28(25,26)19-6-4-5-16(15-19)20(24)23-13-11-22(12-14-23)17-7-9-18(27-3)10-8-17/h4-10,15H,11-14H2,1-3H3
InChIKeyMZYQOLRGMDOTAN-UHFFFAOYSA-N
XLogP1.91
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
N-methoxy-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55919176
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
N-(2-methoxyethyl)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55566298
[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334086
2-methoxy-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55917751
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55902036
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (CID 2664335) is 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MZYQOLRGMDOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-21(2)28(25,26)19-6-4-5-16(15-19)20(24)23-13-11-22(12-14-23)17-7-9-18(27-3)10-8-17/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.91, 5 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,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 2664335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).