N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide

C20H25N3O3S — CID 86768049

IUPACN-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-7-9-19(10-8-17)27(25,26)21-11-12-22-13-15-23(16-14-22)20(24)18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3
InChIKeyCFLIOCNMAJUPAC-UHFFFAOYSA-N
MW387.50 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 86768049) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID86768049
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-17-7-9-19(10-8-17)27(25,26)21-11-12-22-13-15-23(16-14-22)20(24)18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3
InChIKeyCFLIOCNMAJUPAC-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110397830
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120704399
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide (CID 86768049) is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CFLIOCNMAJUPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-7-9-19(10-8-17)27(25,26)21-11-12-22-13-15-23(16-14-22)20(24)18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3.
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 86768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).