N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

C20H25N3O3S — CID 20934319

IUPACN-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)27(25,26)23(15-18-8-3-2-4-9-18)16-20(24)22-13-11-21-12-14-22/h2-10,21H,11-16H2,1H3
InChIKeyNCHPGVANECGGIL-UHFFFAOYSA-N
MW387.50 g/mol
LogP1.62
Rot. Bonds6

About N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 20934319) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID20934319
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(CC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)27(25,26)23(15-18-8-3-2-4-9-18)16-20(24)22-13-11-21-12-14-22/h2-10,21H,11-16H2,1H3
InChIKeyNCHPGVANECGGIL-UHFFFAOYSA-N
XLogP1.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934314
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934432
2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 50788654
2,4,6-trimethyl-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788395
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzenesulfonamide
CID 50776046
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2,4,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 92501993
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
2,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-propylbenzenesulfonamide
CID 50788516
N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934324
N-butyl-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (CID 20934319) is N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(CC(=O)N1CCNCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is NCHPGVANECGGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-7-5-6-10-19(17)27(25,26)23(15-18-8-3-2-4-9-18)16-20(24)22-13-11-21-12-14-22/h2-10,21H,11-16H2,1H3.
What are the key properties of N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 20934319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).