N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide

C19H22ClN3O3S — CID 78842967

IUPACN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-15(24)21-19-8-7-17(13-18(19)20)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyJXCLFNJJVQNNOS-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.80
Rot. Bonds5

About N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide

N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide (PubChem CID 78842967) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
PubChem CID78842967
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-15(24)21-19-8-7-17(13-18(19)20)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyJXCLFNJJVQNNOS-UHFFFAOYSA-N
XLogP2.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
CID 18892684
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
CID 42993180
N-[2-methoxy-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 8799957
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid
CID 120613639
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide (CID 78842967) is N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide?
The InChIKey is JXCLFNJJVQNNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-15(24)21-19-8-7-17(13-18(19)20)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide?
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide has a molecular weight of 407.92 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide is sourced from PubChem (CID 78842967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).