N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C21H20ClN3O3S — CID 20876129

IUPACN-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20ClN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26)
InChIKeyMWHQPTBREXYPNW-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.93
Rot. Bonds4

About N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20876129) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID20876129
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H20ClN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26)
InChIKeyMWHQPTBREXYPNW-UHFFFAOYSA-N
XLogP3.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876148
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307238

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 20876129) is N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MWHQPTBREXYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-17-8-10-18(11-9-17)24-21(26)16-6-3-13-25(14-16)29(27,28)19-7-1-4-15-5-2-12-23-20(15)19/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20876129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).