2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one

C19H18N2O5S2 — CID 127038162

IUPAC2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
SMILESO=C1c2cc(N3CCCS3(=O)=O)ccc2-c2ccc(N3CCCS3(=O)=O)cc21
InChIInChI=1S/C19H18N2O5S2/c22-19-17-11-13(20-7-1-9-27(20,23)24)3-5-15(17)16-6-4-14(12-18(16)19)21-8-2-10-28(21,25)26/h3-6,11-12H,1-2,7-10H2
InChIKeyVGKXSWRQTXUVKU-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.98
Rot. Bonds2

About 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one

2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one (PubChem CID 127038162) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
PubChem CID127038162
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC Name2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
SMILESO=C1c2cc(N3CCCS3(=O)=O)ccc2-c2ccc(N3CCCS3(=O)=O)cc21
InChIInChI=1S/C19H18N2O5S2/c22-19-17-11-13(20-7-1-9-27(20,23)24)3-5-15(17)16-6-4-14(12-18(16)19)21-8-2-10-28(21,25)26/h3-6,11-12H,1-2,7-10H2
InChIKeyVGKXSWRQTXUVKU-UHFFFAOYSA-N
XLogP1.98
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339
4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzene-1,2-dicarbonitrile
CID 107796090
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one?
The IUPAC name of 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one (CID 127038162) is 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one?
The canonical SMILES for 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one is O=C1c2cc(N3CCCS3(=O)=O)ccc2-c2ccc(N3CCCS3(=O)=O)cc21.
What is the InChIKey of 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one?
The InChIKey is VGKXSWRQTXUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c22-19-17-11-13(20-7-1-9-27(20,23)24)3-5-15(17)16-6-4-14(12-18(16)19)21-8-2-10-28(21,25)26/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one?
2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one has a molecular weight of 418.50 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one is sourced from PubChem (CID 127038162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).