1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine

C17H22N2O2S — CID 777499

IUPAC1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H22N2O2S/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQLYBRAFHYDTOGC-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.55
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine

1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 777499) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine
PubChem CID777499
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H22N2O2S/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyQLYBRAFHYDTOGC-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine (CID 777499) is 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is QLYBRAFHYDTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14(2)18-9-11-19(12-10-18)22(20,21)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine?
1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 318.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 777499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).