4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide

C19H19N3O4S2 — CID 644442

IUPAC4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N3O4S2/c23-27(24,21-18-7-3-5-15-6-4-12-20-19(15)18)16-8-10-17(11-9-16)28(25,26)22-13-1-2-14-22/h3-12,21H,1-2,13-14H2
InChIKeyAQJOPZLWPJXKQC-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.82
Rot. Bonds5

About 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide

4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 644442) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID644442
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19N3O4S2/c23-27(24,21-18-7-3-5-15-6-4-12-20-19(15)18)16-8-10-17(11-9-16)28(25,26)22-13-1-2-14-22/h3-12,21H,1-2,13-14H2
InChIKeyAQJOPZLWPJXKQC-UHFFFAOYSA-N
XLogP2.82
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Intepirdine
CID 11256720
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
8-(Methylsulfonylamino)quinoline
CID 151506
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 739449
N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 830459
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide (CID 644442) is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is AQJOPZLWPJXKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c23-27(24,21-18-7-3-5-15-6-4-12-20-19(15)18)16-8-10-17(11-9-16)28(25,26)22-13-1-2-14-22/h3-12,21H,1-2,13-14H2.
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide?
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 417.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 644442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).