4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine

C20H18ClFN2O3S — CID 24783276

IUPAC4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1Cl
InChIInChI=1S/C20H18ClFN2O3S/c1-13-2-4-15(11-17(13)21)28(25,26)19-12-23-18-10-14(22)3-5-16(18)20(19)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2,1H3
InChIKeyCDBKAXKJTYKYDQ-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.01
Rot. Bonds3

About 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine

4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine (PubChem CID 24783276) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine
PubChem CID24783276
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1Cl
InChIInChI=1S/C20H18ClFN2O3S/c1-13-2-4-15(11-17(13)21)28(25,26)19-12-23-18-10-14(22)3-5-16(18)20(19)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2,1H3
InChIKeyCDBKAXKJTYKYDQ-UHFFFAOYSA-N
XLogP4.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine?
The IUPAC name of 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine (CID 24783276) is 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine is Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine?
The InChIKey is CDBKAXKJTYKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-13-2-4-15(11-17(13)21)28(25,26)19-12-23-18-10-14(22)3-5-16(18)20(19)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine?
4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine has a molecular weight of 420.89 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methylphenyl)sulfonyl-7-fluoroquinolin-4-yl]morpholine is sourced from PubChem (CID 24783276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).