(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine

C17H18N2O4S2 — CID 7014423

IUPAC(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-2-13-3-9-16(10-4-13)25(22,23)18-11-12-24-17(18)14-5-7-15(8-6-14)19(20)21/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyHNPXGIAKJIRLAN-KRWDZBQOSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds5

About (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine

(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine (PubChem CID 7014423) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
PubChem CID7014423
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-2-13-3-9-16(10-4-13)25(22,23)18-11-12-24-17(18)14-5-7-15(8-6-14)19(20)21/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyHNPXGIAKJIRLAN-KRWDZBQOSA-N
XLogP3.59
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3616314
(2R)-3-(4-ethylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 7014424
(2R)-2-(4-bromophenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1104652
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694
4-[[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122329815
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
2-(4-nitrophenyl)-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
CID 122329799
3-(4-fluorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 4108920
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3302390

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine (CID 7014423) is (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine is CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine?
The InChIKey is HNPXGIAKJIRLAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-2-13-3-9-16(10-4-13)25(22,23)18-11-12-24-17(18)14-5-7-15(8-6-14)19(20)21/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine?
(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine has a molecular weight of 378.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 7014423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).