N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide

C25H27N3O3S — CID 100787738

IUPACN-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCN(c1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-26(32(30,31)24-10-6-3-7-11-24)22-14-12-21(13-15-22)20-25(29)28-18-16-27(17-19-28)23-8-4-2-5-9-23/h2-15H,16-20H2,1H3
InChIKeyMZWBIULCIXKERL-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide

N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 100787738) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID100787738
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCN(c1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-26(32(30,31)24-10-6-3-7-11-24)22-14-12-21(13-15-22)20-25(29)28-18-16-27(17-19-28)23-8-4-2-5-9-23/h2-15H,16-20H2,1H3
InChIKeyMZWBIULCIXKERL-UHFFFAOYSA-N
XLogP3.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 1000480
N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2896526
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
N-(2-ethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 4115834
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
CID 100787443

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 100787738) is N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide is CN(c1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is MZWBIULCIXKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-26(32(30,31)24-10-6-3-7-11-24)22-14-12-21(13-15-22)20-25(29)28-18-16-27(17-19-28)23-8-4-2-5-9-23/h2-15H,16-20H2,1H3.
What are the key properties of N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 100787738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).