(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C18H19ClN2O3S — CID 1341035

IUPAC(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-6-8-15(9-7-14)25(23,24)21-12-10-20(11-13-21)18(22)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3
InChIKeyUQGKPUWGNVFBCC-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.80
Rot. Bonds3

About (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1341035) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1341035
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-6-8-15(9-7-14)25(23,24)21-12-10-20(11-13-21)18(22)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3
InChIKeyUQGKPUWGNVFBCC-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 1341035) is (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UQGKPUWGNVFBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-14-6-8-15(9-7-14)25(23,24)21-12-10-20(11-13-21)18(22)16-4-2-3-5-17(16)19/h2-9H,10-13H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 378.88 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1341035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).