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

C19H17N3O5S2 — CID 42271498

IUPAC4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide
SMILESC[C@@H]1CS(=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/t13-/m1/s1
InChIKeyOWTFGRQSFOERGM-CYBMUJFWSA-N
MW431.50 g/mol
LogP2.35
Rot. Bonds4

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

4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 42271498) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide
PubChem CID42271498
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC Name4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide
SMILESC[C@@H]1CS(=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/t13-/m1/s1
InChIKeyOWTFGRQSFOERGM-CYBMUJFWSA-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

Analyze 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695
methyl 2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22694712
N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004845
4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694689
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 21004841
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956
4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
CID 21004803
4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634919
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide (CID 42271498) is 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide is C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O.
What is the InChIKey of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is OWTFGRQSFOERGM-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide?
4-[(4S)-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-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 42271498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).