N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C21H19F2N3O3S — CID 20876148

IUPACN-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H19F2N3O3S/c22-17-9-8-16(12-18(17)23)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27)
InChIKeyMSGHCQHLAKQZFL-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.55
Rot. Bonds4

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

N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20876148) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID20876148
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C21H19F2N3O3S/c22-17-9-8-16(12-18(17)23)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27)
InChIKeyMSGHCQHLAKQZFL-UHFFFAOYSA-N
XLogP3.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 22429381
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307238
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 20876148) is N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MSGHCQHLAKQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-17-9-8-16(12-18(17)23)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).