N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C16H17N3O5S2 — CID 21004845

IUPACN-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)ccn1
InChIInChI=1S/C16H17N3O5S2/c1-11-10-25(21,22)19(16(11)20)14-3-5-15(6-4-14)26(23,24)18-13-7-8-17-12(2)9-13/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyHKHKGVCJOOFZIA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.50
Rot. Bonds4

About N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21004845) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21004845
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)ccn1
InChIInChI=1S/C16H17N3O5S2/c1-11-10-25(21,22)19(16(11)20)14-3-5-15(6-4-14)26(23,24)18-13-7-8-17-12(2)9-13/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyHKHKGVCJOOFZIA-UHFFFAOYSA-N
XLogP1.50
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide with MolForge

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Related Compounds

4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 21004841
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004843
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide
CID 42271498
N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695
N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694689
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694717
methyl 2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22694712
methyl 4-chloro-3-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylamino]benzoate
CID 42271987
N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005195
N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004882
4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21004845) is N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is HKHKGVCJOOFZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-11-10-25(21,22)19(16(11)20)14-3-5-15(6-4-14)26(23,24)18-13-7-8-17-12(2)9-13/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21004845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).