2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide

C10H12BrNO3S — CID 170557126

IUPAC2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyWMWACZIFUGYTAL-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.00
Rot. Bonds2

About 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide

2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 170557126) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID170557126
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyWMWACZIFUGYTAL-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616
2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
CID 127038162
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 20962424
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 110624195
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide (CID 170557126) is 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide is COc1cc(N2CCCS2(=O)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WMWACZIFUGYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide?
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 306.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 170557126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).