1-(6-chloronaphthalen-1-yl)sulfonylpiperazine

C14H15ClN2O2S — CID 54106854

IUPAC1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc2cc(Cl)ccc12)N1CCNCC1
InChIInChI=1S/C14H15ClN2O2S/c15-12-4-5-13-11(10-12)2-1-3-14(13)20(18,19)17-8-6-16-7-9-17/h1-5,10,16H,6-9H2
InChIKeyNEIQIYOEWFZHND-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.09
Rot. Bonds2

About 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine

1-(6-chloronaphthalen-1-yl)sulfonylpiperazine (PubChem CID 54106854) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
PubChem CID54106854
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc2cc(Cl)ccc12)N1CCNCC1
InChIInChI=1S/C14H15ClN2O2S/c15-12-4-5-13-11(10-12)2-1-3-14(13)20(18,19)17-8-6-16-7-9-17/h1-5,10,16H,6-9H2
InChIKeyNEIQIYOEWFZHND-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-ylsulfonylpiperazine
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1-anthracen-9-ylsulfonylpiperazine
CID 4738870
1-(5-methylnaphthalen-1-yl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 158195809
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
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1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
5-chloro-1-methyl-2-piperazin-1-ylsulfonylindole;hydrochloride
CID 22628141
5-(azepan-1-ylsulfonyl)naphthalene-2-carbaldehyde
CID 145480328
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
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1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine (CID 54106854) is 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine is O=S(=O)(c1cccc2cc(Cl)ccc12)N1CCNCC1.
What is the InChIKey of 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is NEIQIYOEWFZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-12-4-5-13-11(10-12)2-1-3-14(13)20(18,19)17-8-6-16-7-9-17/h1-5,10,16H,6-9H2.
What are the key properties of 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine?
1-(6-chloronaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 310.81 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloronaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 54106854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).