N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide

C23H31N3O5S2 — CID 24537457

IUPACN,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-17-6-8-21(9-7-17)32(28,29)24(5)16-22(27)25-10-12-26(13-11-25)33(30,31)23-19(3)14-18(2)15-20(23)4/h6-9,14-15H,10-13,16H2,1-5H3
InChIKeySLVMNUFHOZIJPL-UHFFFAOYSA-N
MW493.65 g/mol
LogP2.07
Rot. Bonds6

About N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide

N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 24537457) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID24537457
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC NameN,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-17-6-8-21(9-7-17)32(28,29)24(5)16-22(27)25-10-12-26(13-11-25)33(30,31)23-19(3)14-18(2)15-20(23)4/h6-9,14-15H,10-13,16H2,1-5H3
InChIKeySLVMNUFHOZIJPL-UHFFFAOYSA-N
XLogP2.07
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753
N-methyl-N-(4-methylphenyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 991663
N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55623713
N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 5026377
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 71904260
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide (CID 24537457) is N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is SLVMNUFHOZIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-17-6-8-21(9-7-17)32(28,29)24(5)16-22(27)25-10-12-26(13-11-25)33(30,31)23-19(3)14-18(2)15-20(23)4/h6-9,14-15H,10-13,16H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide?
N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 493.65 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24537457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).