2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C18H17N3O7S3 — CID 21004935

IUPAC2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3cc(N4C(=O)CCS4(=O)=O)ccc3OC)sc2c1
InChIInChI=1S/C18H17N3O7S3/c1-27-12-4-5-13-15(10-12)29-18(19-13)20-31(25,26)16-9-11(3-6-14(16)28-2)21-17(22)7-8-30(21,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyGSDQCDVXTOCRKI-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.18
Rot. Bonds6

About 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21004935) has the molecular formula C18H17N3O7S3 and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21004935
Molecular FormulaC18H17N3O7S3
Molecular Weight483.55 g/mol
Exact Mass483.02
IUPAC Name2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3cc(N4C(=O)CCS4(=O)=O)ccc3OC)sc2c1
InChIInChI=1S/C18H17N3O7S3/c1-27-12-4-5-13-15(10-12)29-18(19-13)20-31(25,26)16-9-11(3-6-14(16)28-2)21-17(22)7-8-30(21,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyGSDQCDVXTOCRKI-UHFFFAOYSA-N
XLogP2.18
TPSA131.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996013
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzenesulfonamide
CID 21005386
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
2-methoxy-N-propan-2-yl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694392
N-(2-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996101
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004940
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695075
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695092
5-chloro-1-(1-hydroxyethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 146176915
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21004935) is 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is COc1ccc2nc(NS(=O)(=O)c3cc(N4C(=O)CCS4(=O)=O)ccc3OC)sc2c1.
What is the InChIKey of 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is GSDQCDVXTOCRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O7S3/c1-27-12-4-5-13-15(10-12)29-18(19-13)20-31(25,26)16-9-11(3-6-14(16)28-2)21-17(22)7-8-30(21,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21004935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).