1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide

C21H21N3O3S — CID 134160181

IUPAC1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)C2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-7-9-18(10-8-15)28(26,27)24-13-11-17(14-24)21(25)23-19-6-2-4-16-5-3-12-22-20(16)19/h2-10,12,17H,11,13-14H2,1H3,(H,23,25)
InChIKeySYYXTDYLCWMOSH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 134160181) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID134160181
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)C2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-7-9-18(10-8-15)28(26,27)24-13-11-17(14-24)21(25)23-19-6-2-4-16-5-3-12-22-20(16)19/h2-10,12,17H,11,13-14H2,1H3,(H,23,25)
InChIKeySYYXTDYLCWMOSH-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9325562
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119422310
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 134160181) is 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4cccnc34)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is SYYXTDYLCWMOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-7-9-18(10-8-15)28(26,27)24-13-11-17(14-24)21(25)23-19-6-2-4-16-5-3-12-22-20(16)19/h2-10,12,17H,11,13-14H2,1H3,(H,23,25).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134160181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).