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

C17H16N2O8S2 — CID 20996141

IUPACN-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O8S2/c1-25-14-5-3-12(19-17(20)6-7-28(19,21)22)9-16(14)29(23,24)18-11-2-4-13-15(8-11)27-10-26-13/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyFUKIOJFVJTVCAV-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.29
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 20996141) has the molecular formula C17H16N2O8S2 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID20996141
Molecular FormulaC17H16N2O8S2
Molecular Weight440.46 g/mol
Exact Mass440.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O8S2/c1-25-14-5-3-12(19-17(20)6-7-28(19,21)22)9-16(14)29(23,24)18-11-2-4-13-15(8-11)27-10-26-13/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyFUKIOJFVJTVCAV-UHFFFAOYSA-N
XLogP1.29
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996033
N-(1,3-benzodioxol-5-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694994
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-(4-bromo-2-methylphenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004930
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004940
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
2-[4-methoxy-3-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694381
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-[4-[[2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 20996020
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695092

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 20996141) is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is FUKIOJFVJTVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O8S2/c1-25-14-5-3-12(19-17(20)6-7-28(19,21)22)9-16(14)29(23,24)18-11-2-4-13-15(8-11)27-10-26-13/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 440.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 20996141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).