(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide

C21H21N3O3S — CID 41025456

IUPAC(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H21N3O3S/c25-21(23-20-12-4-11-19-18(20)10-5-13-22-19)16-7-6-14-24(15-16)28(26,27)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2,(H,23,25)/t16-/m0/s1
InChIKeyHBLXNQMPDSMODH-INIZCTEOSA-N
MW395.48 g/mol
LogP3.27
Rot. Bonds4

About (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide (PubChem CID 41025456) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
PubChem CID41025456
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H21N3O3S/c25-21(23-20-12-4-11-19-18(20)10-5-13-22-19)16-7-6-14-24(15-16)28(26,27)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2,(H,23,25)/t16-/m0/s1
InChIKeyHBLXNQMPDSMODH-INIZCTEOSA-N
XLogP3.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 43063142
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide (CID 41025456) is (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide is O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide?
The InChIKey is HBLXNQMPDSMODH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(23-20-12-4-11-19-18(20)10-5-13-22-19)16-7-6-14-24(15-16)28(26,27)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2,(H,23,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 41025456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).