4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline

C20H27N3O3S — CID 113078794

IUPAC4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)cc1C
InChIInChI=1S/C20H27N3O3S/c1-16-15-19(9-10-20(16)26-4)27(24,25)23-13-11-22(12-14-23)18-7-5-17(6-8-18)21(2)3/h5-10,15H,11-14H2,1-4H3
InChIKeyBGOCCHGGJDSFBQ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.58
Rot. Bonds5

About 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline

4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline (PubChem CID 113078794) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
PubChem CID113078794
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)cc1C
InChIInChI=1S/C20H27N3O3S/c1-16-15-19(9-10-20(16)26-4)27(24,25)23-13-11-22(12-14-23)18-7-5-17(6-8-18)21(2)3/h5-10,15H,11-14H2,1-4H3
InChIKeyBGOCCHGGJDSFBQ-UHFFFAOYSA-N
XLogP2.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline 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

1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-[3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 113078159
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
1-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-4-(4-methylphenyl)-1,4-diazepane
CID 87027482
3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,2-oxazole
CID 110645929
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline (CID 113078794) is 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline is COc1ccc(S(=O)(=O)N2CCN(c3ccc(N(C)C)cc3)CC2)cc1C.
What is the InChIKey of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline?
The InChIKey is BGOCCHGGJDSFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-15-19(9-10-20(16)26-4)27(24,25)23-13-11-22(12-14-23)18-7-5-17(6-8-18)21(2)3/h5-10,15H,11-14H2,1-4H3.
What are the key properties of 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline?
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline has a molecular weight of 389.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 113078794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).