1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine

C17H19ClN2O2S — CID 1364863

IUPAC1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)23(21,22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyYIXNDGXSKXLYSV-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.85
Rot. Bonds4

About 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine (PubChem CID 1364863) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
PubChem CID1364863
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)23(21,22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyYIXNDGXSKXLYSV-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067
1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 39746579
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
(2S)-1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]-2-methylpiperazine
CID 175257353
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine (CID 1364863) is 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine?
The InChIKey is YIXNDGXSKXLYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)23(21,22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine has a molecular weight of 350.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 1364863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).