N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide

C17H28N4O5S2 — CID 30538950

IUPACN,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H28N4O5S2/c1-4-20(5-2)28(25,26)16-8-6-15(7-9-16)18-14-17(22)19-10-12-21(13-11-19)27(3,23)24/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyMNXOLRZQIVKFAE-UHFFFAOYSA-N
MW432.57 g/mol
LogP0.23
Rot. Bonds8

About N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide

N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide (PubChem CID 30538950) has the molecular formula C17H28N4O5S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide
PubChem CID30538950
Molecular FormulaC17H28N4O5S2
Molecular Weight432.57 g/mol
Exact Mass432.15
IUPAC NameN,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H28N4O5S2/c1-4-20(5-2)28(25,26)16-8-6-15(7-9-16)18-14-17(22)19-10-12-21(13-11-19)27(3,23)24/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyMNXOLRZQIVKFAE-UHFFFAOYSA-N
XLogP0.23
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]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

2-[4-(difluoromethoxy)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 47015468
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55471148
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-nitroanilino)ethanone
CID 9082198
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 24525790
2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119678772

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide (CID 30538950) is N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide?
The InChIKey is MNXOLRZQIVKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S2/c1-4-20(5-2)28(25,26)16-8-6-15(7-9-16)18-14-17(22)19-10-12-21(13-11-19)27(3,23)24/h6-9,18H,4-5,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide?
N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide is sourced from PubChem (CID 30538950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).