4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline

C20H20ClN3O2S — CID 1240150

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20ClN3O2S/c1-15-14-20(18-4-2-3-5-19(18)22-15)23-10-12-24(13-11-23)27(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyISKKHUSIKPRBKI-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.71
Rot. Bonds3

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

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline (PubChem CID 1240150) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline
PubChem CID1240150
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20ClN3O2S/c1-15-14-20(18-4-2-3-5-19(18)22-15)23-10-12-24(13-11-23)27(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyISKKHUSIKPRBKI-UHFFFAOYSA-N
XLogP3.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline (CID 1240150) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline is Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline?
The InChIKey is ISKKHUSIKPRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-15-14-20(18-4-2-3-5-19(18)22-15)23-10-12-24(13-11-23)27(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline has a molecular weight of 401.92 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylquinoline is sourced from PubChem (CID 1240150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).