N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C21H27N3O5S2 — CID 24816564

IUPACN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O5S2/c1-17-8-9-18(2)20(16-17)31(28,29)24-14-12-23(13-15-24)21(25)10-11-22-30(26,27)19-6-4-3-5-7-19/h3-9,16,22H,10-15H2,1-2H3
InChIKeyURVBIUMJAYRDIX-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.50
Rot. Bonds7

About N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide

N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 24816564) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID24816564
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O5S2/c1-17-8-9-18(2)20(16-17)31(28,29)24-14-12-23(13-15-24)21(25)10-11-22-30(26,27)19-6-4-3-5-7-19/h3-9,16,22H,10-15H2,1-2H3
InChIKeyURVBIUMJAYRDIX-UHFFFAOYSA-N
XLogP1.50
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide 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

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 3242181
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 3619774
1-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 7661857
N1-cyclopentyl-N2-(2-(1-((2,5-dimethylphenyl)sulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 16829787
2-fluoro-N-[3-oxo-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propyl]benzenesulfonamide
CID 24978708
N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24982088
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24982873
1-[3-[(2,5-Dimethylphenyl)sulfonylamino]propanoyl]piperidine-3-carboxamide
CID 16299156
4-(2,5-Dimethylphenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione
CID 4080996
1-[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 7921426
1-[4-Benzylpiperidyl]-3-[(phenylsulfonyl)amino]propan-1-one
CID 4806879
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9414340

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 24816564) is N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is URVBIUMJAYRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-17-8-9-18(2)20(16-17)31(28,29)24-14-12-23(13-15-24)21(25)10-11-22-30(26,27)19-6-4-3-5-7-19/h3-9,16,22H,10-15H2,1-2H3.
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 465.60 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 24816564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).