[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

C22H21FN2O3S — CID 50757639

IUPAC[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C22H21FN2O3S/c1-15-5-8-17(9-6-15)29(27,28)21-18-13-16(23)7-10-20(18)24-14-19(21)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyRMJATLCTECXZAL-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.14
Rot. Bonds3

About [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone

[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 50757639) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID50757639
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C22H21FN2O3S/c1-15-5-8-17(9-6-15)29(27,28)21-18-13-16(23)7-10-20(18)24-14-19(21)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyRMJATLCTECXZAL-UHFFFAOYSA-N
XLogP4.14
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134821685
CID 134821685
CID 137628670
CID 137628670
CID 10153372
CID 10153372
CID 10167862
CID 10167862
CID 10197046
CID 10197046
CID 76401547
CID 76401547
CID 44267696
CID 44267696
CID 4877448
CID 4877448
CID 53320156
CID 53320156
CID 10118633
CID 10118633
CID 25021199
CID 25021199
CID 44564774
CID 44564774

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone (CID 50757639) is [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1.
What is the InChIKey of [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is RMJATLCTECXZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-5-8-17(9-6-15)29(27,28)21-18-13-16(23)7-10-20(18)24-14-19(21)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone?
[6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-methylphenyl)sulfonylquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50757639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).