4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride

C16H27ClN4O3S — CID 120704399

IUPAC4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-14-3-5-15(6-4-14)24(22,23)18-7-8-19-9-11-20(12-10-19)16(21)13-17-2;/h3-6,17-18H,7-13H2,1-2H3;1H
InChIKeyFUZSTKWADPVKFI-UHFFFAOYSA-N
MW390.94 g/mol
LogP0.06
Rot. Bonds7

About 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride

4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120704399) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120704399
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC Name4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-14-3-5-15(6-4-14)24(22,23)18-7-8-19-9-11-20(12-10-19)16(21)13-17-2;/h3-6,17-18H,7-13H2,1-2H3;1H
InChIKeyFUZSTKWADPVKFI-UHFFFAOYSA-N
XLogP0.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
4-methyl-N-[2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]ethyl]benzenesulfonamide;dihydrochloride
CID 119882025
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416173
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120704399) is 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride is CNCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is FUZSTKWADPVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-14-3-5-15(6-4-14)24(22,23)18-7-8-19-9-11-20(12-10-19)16(21)13-17-2;/h3-6,17-18H,7-13H2,1-2H3;1H.
What are the key properties of 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride?
4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120704399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).