3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

C22H18N2O2S — CID 139265408

IUPAC3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccc3ccccc3c2)C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C22H18N2O2S/c25-27(26)23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24-27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-24H
InChIKeyCLXODLXWGCMGKI-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.21
Rot. Bonds2

About 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 139265408) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID139265408
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NC(c2ccc3ccccc3c2)C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C22H18N2O2S/c25-27(26)23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24-27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-24H
InChIKeyCLXODLXWGCMGKI-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 95561844
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156
3-naphthalen-2-ylazetidine
CID 116962282
(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone
CID 101455260
2-ethyl-3-naphthalen-2-ylpyrrolidine
CID 62354972
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
CID 11321352
(2R)-2-naphthalen-2-yloxirane
CID 10877557
3-naphthalen-2-ylpyrrolidine-2,5-dione
CID 102081693
3-naphthalen-2-ylpiperazin-2-one
CID 62349991
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
4-[(1S,2R,3S,4R)-2-(4-carboxyphenyl)-3,4-dinaphthalen-2-ylcyclobutyl]benzoic acid
CID 138857842

Frequently Asked Questions

What is the IUPAC name of 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 139265408) is 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NC(c2ccc3ccccc3c2)C(c2ccc3ccccc3c2)N1.
What is the InChIKey of 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is CLXODLXWGCMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-27(26)23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24-27)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21-24H.
What are the key properties of 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 374.47 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 139265408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).