2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol

C16H17FN2O3S — CID 142784641

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol
SMILESO=S1(=O)NCCN1c1ccc(CCc2cccc(F)c2)cc1O
InChIInChI=1S/C16H17FN2O3S/c17-14-3-1-2-12(10-14)4-5-13-6-7-15(16(20)11-13)19-9-8-18-23(19,21)22/h1-3,6-7,10-11,18,20H,4-5,8-9H2
InChIKeyKOXSPNDRLWLILC-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.97
Rot. Bonds4

About 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol (PubChem CID 142784641) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol
PubChem CID142784641
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol
SMILESO=S1(=O)NCCN1c1ccc(CCc2cccc(F)c2)cc1O
InChIInChI=1S/C16H17FN2O3S/c17-14-3-1-2-12(10-14)4-5-13-6-7-15(16(20)11-13)19-9-8-18-23(19,21)22/h1-3,6-7,10-11,18,20H,4-5,8-9H2
InChIKeyKOXSPNDRLWLILC-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[7-(2-Cyclopropylethylamino)-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103195
5-[7-[2-(Azetidin-1-yl)ethylamino]-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103480
5-[2-Fluoro-6-hydroxy-4-[1-(3-methylbutyl)azetidin-3-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176332046
5-(1-Fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 17747271
1,2,5-Thiadiazolidin-3-one, 5-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-, 1,1-dioxide
CID 24856341
5-[7-(Cyclopropylmethylamino)-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103340
5-[1-Fluoro-3-hydroxy-7-(3-methylbutylamino)naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103439
5-[4-[[[(1S)-3,3-dimethylcyclohexyl]amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119843
5-[2-fluoro-6-hydroxy-4-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119845
5-[4-[[(4,4-Dimethylcyclohexyl)-methylamino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119867
5-[4-[[(4,4-Dimethylcyclohexyl)amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119921
5-[4-[(4-Butylpiperidin-1-yl)methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119928

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol (CID 142784641) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol is O=S1(=O)NCCN1c1ccc(CCc2cccc(F)c2)cc1O.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol?
The InChIKey is KOXSPNDRLWLILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-14-3-1-2-12(10-14)4-5-13-6-7-15(16(20)11-13)19-9-8-18-23(19,21)22/h1-3,6-7,10-11,18,20H,4-5,8-9H2.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol has a molecular weight of 336.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-5-[2-(3-fluorophenyl)ethyl]phenol is sourced from PubChem (CID 142784641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).