1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

C18H21ClN2O3S — CID 651944

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3
InChIKeyDPLFWVGSDMHTLV-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.86
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 651944) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID651944
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3
InChIKeyDPLFWVGSDMHTLV-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 651944) is 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is DPLFWVGSDMHTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 380.90 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 651944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).