1-anthracen-9-ylsulfonylpiperazine

C18H18N2O2S — CID 4738870

IUPAC1-anthracen-9-ylsulfonylpiperazine
SMILESO=S(=O)(c1c2ccccc2cc2ccccc12)N1CCNCC1
InChIInChI=1S/C18H18N2O2S/c21-23(22,20-11-9-19-10-12-20)18-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)18/h1-8,13,19H,9-12H2
InChIKeyANFUOHRNYFAGFJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.59
Rot. Bonds2

About 1-anthracen-9-ylsulfonylpiperazine

1-anthracen-9-ylsulfonylpiperazine (PubChem CID 4738870) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-anthracen-9-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-anthracen-9-ylsulfonylpiperazine
PubChem CID4738870
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-anthracen-9-ylsulfonylpiperazine
SMILESO=S(=O)(c1c2ccccc2cc2ccccc12)N1CCNCC1
InChIInChI=1S/C18H18N2O2S/c21-23(22,20-11-9-19-10-12-20)18-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)18/h1-8,13,19H,9-12H2
InChIKeyANFUOHRNYFAGFJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-anthracen-9-ylsulfonyl-1,4-diazepane;hydrochloride
CID 19826009
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
CID 54106854
2-(1,4-diazepan-1-ylsulfonyl)phenanthridine
CID 19826040
1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
8-piperazin-1-ylsulfonylisoquinoline
CID 86157701
1-(5-methylnaphthalen-1-yl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 158195809
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
CID 126766963
1-(2,6-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 120707034
3-piperazin-1-yl-2H-isoquinolin-1-one
CID 54939199
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
9-(1-anthracen-9-ylsulfonylpiperidin-4-yl)-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one;hydrochloride
CID 87535343

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-ylsulfonylpiperazine?
The IUPAC name of 1-anthracen-9-ylsulfonylpiperazine (CID 4738870) is 1-anthracen-9-ylsulfonylpiperazine.
What is the SMILES notation for 1-anthracen-9-ylsulfonylpiperazine?
The canonical SMILES for 1-anthracen-9-ylsulfonylpiperazine is O=S(=O)(c1c2ccccc2cc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-anthracen-9-ylsulfonylpiperazine?
The InChIKey is ANFUOHRNYFAGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-23(22,20-11-9-19-10-12-20)18-16-7-3-1-5-14(16)13-15-6-2-4-8-17(15)18/h1-8,13,19H,9-12H2.
What are the key properties of 1-anthracen-9-ylsulfonylpiperazine?
1-anthracen-9-ylsulfonylpiperazine has a molecular weight of 326.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-ylsulfonylpiperazine is sourced from PubChem (CID 4738870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).