1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine

C17H19ClN2O3S — CID 1076575

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyCCFFINUYBWCFRH-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine

1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 1076575) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
PubChem CID1076575
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyCCFFINUYBWCFRH-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
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-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine (CID 1076575) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine is COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is CCFFINUYBWCFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-23-17-13-15(7-8-16(17)18)24(21,22)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine?
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 366.87 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1076575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).