N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

C21H20ClN3O4S — CID 22583495

IUPACN-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-16-2-1-3-17(13-16)23-21(27)14-8-10-25(11-9-14)30(28,29)18-5-6-19-15(12-18)4-7-20(26)24-19/h1-7,12-14H,8-11H2,(H,23,27)(H,24,26)
InChIKeyAGJGDFYEQWBDDX-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.22
Rot. Bonds4

About N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 22583495) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID22583495
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC NameN-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-16-2-1-3-17(13-16)23-21(27)14-8-10-25(11-9-14)30(28,29)18-5-6-19-15(12-18)4-7-20(26)24-19/h1-7,12-14H,8-11H2,(H,23,27)(H,24,26)
InChIKeyAGJGDFYEQWBDDX-UHFFFAOYSA-N
XLogP3.22
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903574
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22549897
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 22583495) is N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is AGJGDFYEQWBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-16-2-1-3-17(13-16)23-21(27)14-8-10-25(11-9-14)30(28,29)18-5-6-19-15(12-18)4-7-20(26)24-19/h1-7,12-14H,8-11H2,(H,23,27)(H,24,26).
What are the key properties of N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 22583495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).