N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride

C18H22ClN3O3S — CID 73347593

IUPACN-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-14(22)20-17-13-15(21-11-9-19-10-12-21)7-8-18(17)25(23,24)16-5-3-2-4-6-16;/h2-8,13,19H,9-12H2,1H3,(H,20,22);1H
InChIKeyKHNFGJPEIMHLHI-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride

N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride (PubChem CID 73347593) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride
PubChem CID73347593
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21N3O3S.ClH/c1-14(22)20-17-13-15(21-11-9-19-10-12-21)7-8-18(17)25(23,24)16-5-3-2-4-6-16;/h2-8,13,19H,9-12H2,1H3,(H,20,22);1H
InChIKeyKHNFGJPEIMHLHI-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride (CID 73347593) is N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride is CC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride?
The InChIKey is KHNFGJPEIMHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c1-14(22)20-17-13-15(21-11-9-19-10-12-21)7-8-18(17)25(23,24)16-5-3-2-4-6-16;/h2-8,13,19H,9-12H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride?
N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 73347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).