[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H23ClN2O3S — CID 30329086

IUPAC[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCc2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-6-16-5-1-2-8-20(16)24/h1-2,5,8-12,17H,3-4,6-7,13-15H2/t17-/m0/s1
InChIKeyBOWAPVWYILDSQR-KRWDZBQOSA-N
MW418.95 g/mol
LogP3.72
Rot. Bonds3

About [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 30329086) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID30329086
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCc2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-6-16-5-1-2-8-20(16)24/h1-2,5,8-12,17H,3-4,6-7,13-15H2/t17-/m0/s1
InChIKeyBOWAPVWYILDSQR-KRWDZBQOSA-N
XLogP3.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
6-[(3S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92870749
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
(4-chloro-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166216907
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 30329086) is [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCc2ccccc21.
What is the InChIKey of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BOWAPVWYILDSQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c22-18-9-11-19(12-10-18)28(26,27)23-13-3-7-17(15-23)21(25)24-14-4-6-16-5-1-2-8-20(16)24/h1-2,5,8-12,17H,3-4,6-7,13-15H2/t17-/m0/s1.
What are the key properties of [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 418.95 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 30329086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).