N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C19H22N2O6S2 — CID 20995635

IUPACN-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C
InChIInChI=1S/C19H22N2O6S2/c1-13-10-16(21-18(22)8-9-28(21,23)24)11-14(2)19(13)29(25,26)20-12-15-6-4-5-7-17(15)27-3/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyLTPDVXCHDXZNIT-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.86
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 20995635) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID20995635
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C
InChIInChI=1S/C19H22N2O6S2/c1-13-10-16(21-18(22)8-9-28(21,23)24)11-14(2)19(13)29(25,26)20-12-15-6-4-5-7-17(15)27-3/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyLTPDVXCHDXZNIT-UHFFFAOYSA-N
XLogP1.86
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995624
N-(2-ethylphenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694604
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995582
N-(2-ethoxyphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694559
2-methyl-N-[(3-methylphenyl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995574
N-(4-bromo-3-methylphenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695218
N-[(4-fluorophenyl)methyl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995937
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
N-(2,4-dimethoxyphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996013
N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110306768
N-(4-bromo-2-methylphenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004930
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 20995635) is N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is LTPDVXCHDXZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-13-10-16(21-18(22)8-9-28(21,23)24)11-14(2)19(13)29(25,26)20-12-15-6-4-5-7-17(15)27-3/h4-7,10-11,20H,8-9,12H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 20995635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).