[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine

C26H30ClN3O2S — CID 22709519

IUPAC[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine
SMILESNCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C26H30ClN3O2S/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2
InChIKeyGKXMDAOLODZUNL-UHFFFAOYSA-N
MW484.07 g/mol
LogP4.06
Rot. Bonds5

About [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine

[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 22709519) has the molecular formula C26H30ClN3O2S and a molecular weight of 484.07 g/mol. Its IUPAC name is [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine
PubChem CID22709519
Molecular FormulaC26H30ClN3O2S
Molecular Weight484.07 g/mol
Exact Mass483.17
IUPAC Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine
SMILESNCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C26H30ClN3O2S/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2
InChIKeyGKXMDAOLODZUNL-UHFFFAOYSA-N
XLogP4.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.07
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine (CID 22709519) is [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine is NCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is GKXMDAOLODZUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2S/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2.
What are the key properties of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine?
[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 484.07 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 22709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).