3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C22H23N3O3S — CID 31776356

IUPAC3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCC3)cccc2c1
InChIInChI=1S/C22H23N3O3S/c1-16-14-17-8-7-11-20(21(17)23-15-16)29(27,28)24-19-10-4-3-9-18(19)22(26)25-12-5-2-6-13-25/h3-4,7-11,14-15,24H,2,5-6,12-13H2,1H3
InChIKeyFUZAEHYKKNSRBE-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.97
Rot. Bonds4

About 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 31776356) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID31776356
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCC3)cccc2c1
InChIInChI=1S/C22H23N3O3S/c1-16-14-17-8-7-11-20(21(17)23-15-16)29(27,28)24-19-10-4-3-9-18(19)22(26)25-12-5-2-6-13-25/h3-4,7-11,14-15,24H,2,5-6,12-13H2,1H3
InChIKeyFUZAEHYKKNSRBE-UHFFFAOYSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 31046790
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 31776356) is 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCC3)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is FUZAEHYKKNSRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-14-17-8-7-11-20(21(17)23-15-16)29(27,28)24-19-10-4-3-9-18(19)22(26)25-12-5-2-6-13-25/h3-4,7-11,14-15,24H,2,5-6,12-13H2,1H3.
What are the key properties of 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 31776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).