2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide

C18H20FNO2S — CID 167219032

IUPAC2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyOUVIFQIXJQOGGC-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.16
Rot. Bonds3

About 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide

2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 167219032) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID167219032
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyOUVIFQIXJQOGGC-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
CID 58431987
2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide
CID 139410297
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 56528329
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide (CID 167219032) is 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide is CC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1.
What is the InChIKey of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OUVIFQIXJQOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 333.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 167219032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).