1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine

C21H21ClN2O2S — CID 1484851

IUPAC1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
SMILESCOc1ccc2ccccc2c1S(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN2O2S/c1-26-20-11-6-16-4-2-3-5-19(16)21(20)27(25)24-14-12-23(13-15-24)18-9-7-17(22)8-10-18/h2-11H,12-15H2,1H3
InChIKeySHELJEMILYVJEI-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine

1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine (PubChem CID 1484851) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
PubChem CID1484851
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
SMILESCOc1ccc2ccccc2c1S(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN2O2S/c1-26-20-11-6-16-4-2-3-5-19(16)21(20)27(25)24-14-12-23(13-15-24)18-9-7-17(22)8-10-18/h2-11H,12-15H2,1H3
InChIKeySHELJEMILYVJEI-UHFFFAOYSA-N
XLogP4.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine (CID 1484851) is 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine is COc1ccc2ccccc2c1S(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine?
The InChIKey is SHELJEMILYVJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-26-20-11-6-16-4-2-3-5-19(16)21(20)27(25)24-14-12-23(13-15-24)18-9-7-17(22)8-10-18/h2-11H,12-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine?
1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine has a molecular weight of 400.93 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine is sourced from PubChem (CID 1484851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).