4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C19H22N2O8S2 — CID 21004841

IUPAC4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O8S2/c1-12-11-30(23,24)21(19(12)22)14-5-7-15(8-6-14)31(25,26)20-13-9-16(27-2)18(29-4)17(10-13)28-3/h5-10,12,20H,11H2,1-4H3
InChIKeyNKWICNRGMNCDAM-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.83
Rot. Bonds7

About 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 21004841) has the molecular formula C19H22N2O8S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID21004841
Molecular FormulaC19H22N2O8S2
Molecular Weight470.53 g/mol
Exact Mass470.08
IUPAC Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O8S2/c1-12-11-30(23,24)21(19(12)22)14-5-7-15(8-6-14)31(25,26)20-13-9-16(27-2)18(29-4)17(10-13)28-3/h5-10,12,20H,11H2,1-4H3
InChIKeyNKWICNRGMNCDAM-UHFFFAOYSA-N
XLogP1.83
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694689
4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729
N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004845
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004843
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
methyl 4-chloro-3-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylamino]benzoate
CID 42271987
2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
CID 16642586
N-[2-(3-methoxyphenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide
CID 42328548
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694717
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-quinolin-8-ylbenzenesulfonamide
CID 42271498
N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004882

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 21004841) is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is NKWICNRGMNCDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O8S2/c1-12-11-30(23,24)21(19(12)22)14-5-7-15(8-6-14)31(25,26)20-13-9-16(27-2)18(29-4)17(10-13)28-3/h5-10,12,20H,11H2,1-4H3.
What are the key properties of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 470.53 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 21004841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).