4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide

C19H17N3O5S2 — CID 22694337

IUPAC4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O
InChIInChI=1S/C19H17N3O5S2/c1-13-12-28(24,25)22(19(13)23)15-7-9-16(10-8-15)29(26,27)21-17-6-2-4-14-5-3-11-20-18(14)17/h2-11,13,21H,12H2,1H3
InChIKeyOWTFGRQSFOERGM-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.35
Rot. Bonds4

About 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide

4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 22694337) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide
PubChem CID22694337
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O
InChIInChI=1S/C19H17N3O5S2/c1-13-12-28(24,25)22(19(13)23)15-7-9-16(10-8-15)29(26,27)21-17-6-2-4-14-5-3-11-20-18(14)17/h2-11,13,21H,12H2,1H3
InChIKeyOWTFGRQSFOERGM-UHFFFAOYSA-N
XLogP2.35
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
4-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 4453505
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
CID 122179029
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
3,5-difluoro-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 8028189
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
4-(Pyrrolidine-1-sulfonyl)-N-quinolin-8-yl-benzenesulfonamide
CID 644442
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
N-(quinolin-8-yl)-2-(trifluoromethyl)benzene-1-sulfonamide
CID 8823665

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide (CID 22694337) is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide is CC1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O.
What is the InChIKey of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is OWTFGRQSFOERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-13-12-28(24,25)22(19(13)23)15-7-9-16(10-8-15)29(26,27)21-17-6-2-4-14-5-3-11-20-18(14)17/h2-11,13,21H,12H2,1H3.
What are the key properties of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 431.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 22694337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).