2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine

C21H18ClNO2S2 — CID 45076728

IUPAC2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO2S2/c22-17-9-6-16(7-10-17)21-23(12-13-26-21)27(24,25)19-11-8-15-5-4-14-2-1-3-18(19)20(14)15/h1-3,6-11,21H,4-5,12-13H2
InChIKeyMHNDPKCDHCALGN-UHFFFAOYSA-N
MW415.97 g/mol
LogP5.03
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine

2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine (PubChem CID 45076728) has the molecular formula C21H18ClNO2S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
PubChem CID45076728
Molecular FormulaC21H18ClNO2S2
Molecular Weight415.97 g/mol
Exact Mass415.05
IUPAC Name2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO2S2/c22-17-9-6-16(7-10-17)21-23(12-13-26-21)27(24,25)19-11-8-15-5-4-14-2-1-3-18(19)20(14)15/h1-3,6-11,21H,4-5,12-13H2
InChIKeyMHNDPKCDHCALGN-UHFFFAOYSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 45076731
3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 45076736
2-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122329645
(2R)-3-naphthalen-1-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 7272536
(2S)-2-(4-chloro-3-nitrophenyl)-3-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1,3-thiazolidine
CID 1118526
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
CID 949906
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1118464
4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122329632
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine?
The IUPAC name of 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine (CID 45076728) is 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine is O=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine?
The InChIKey is MHNDPKCDHCALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S2/c22-17-9-6-16(7-10-17)21-23(12-13-26-21)27(24,25)19-11-8-15-5-4-14-2-1-3-18(19)20(14)15/h1-3,6-11,21H,4-5,12-13H2.
What are the key properties of 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine?
2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine has a molecular weight of 415.97 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine is sourced from PubChem (CID 45076728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).