2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C10H11BrFNO2S — CID 47293791

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2S/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-16(13,14)15/h2-3,6H,1,4-5,7H2
InChIKeyLGBOHPSKXOJYTC-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.12
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 47293791) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID47293791
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2S/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-16(13,14)15/h2-3,6H,1,4-5,7H2
InChIKeyLGBOHPSKXOJYTC-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 5199339
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CID 13493128
2-[(4-Bromophenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53245344
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
4-(4-Bromobenzyl)thiomorpholine 1,1-dioxide
CID 52325468
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
2-[(3-Fluorophenyl)methyl]-1lambda6,2-thiazolidine-1,1-dione
CID 60523291
2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide
CID 53240151
2-[(2-Bromo-5-fluorophenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53240189
N-[(4-bromophenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 76328427
N-[(4-bromophenyl)methyl]-N-prop-2-ynylmethanesulfonamide
CID 155560227
1-(4-Bromo-2-fluorobenzyl)pyrrolidine
CID 22266723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 47293791) is 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LGBOHPSKXOJYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-16(13,14)15/h2-3,6H,1,4-5,7H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 308.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 47293791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).