(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine

C15H13ClN2O4S2 — CID 1118518

IUPAC(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O4S2/c16-13-7-6-11(10-14(13)18(19)20)15-17(8-9-23-15)24(21,22)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2/t15-/m0/s1
InChIKeyUZZKEWSHKCWTBX-HNNXBMFYSA-N
MW384.87 g/mol
LogP3.68
Rot. Bonds4

About (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine

(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine (PubChem CID 1118518) has the molecular formula C15H13ClN2O4S2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
PubChem CID1118518
Molecular FormulaC15H13ClN2O4S2
Molecular Weight384.87 g/mol
Exact Mass384.00
IUPAC Name(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O4S2/c16-13-7-6-11(10-14(13)18(19)20)15-17(8-9-23-15)24(21,22)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2/t15-/m0/s1
InChIKeyUZZKEWSHKCWTBX-HNNXBMFYSA-N
XLogP3.68
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.68
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

(2S)-3-(3,4-dichlorophenyl)sulfonyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 27548764
(2S)-2-(4-chloro-3-nitrophenyl)-3-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1,3-thiazolidine
CID 1118526
2-(3-chlorophenyl)-3-(4-methyl-3,5-dinitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076759
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2055915
2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2877097
(2R)-2-(4-methoxy-3-nitrophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1104663
(2S)-2-(4-chlorophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 7409650
2-(4-nitrophenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122329683
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
3-(benzenesulfonyl)-2-pyridin-4-yl-1,3-thiazolidine
CID 3681206

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine (CID 1118518) is (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine is O=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine?
The InChIKey is UZZKEWSHKCWTBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S2/c16-13-7-6-11(10-14(13)18(19)20)15-17(8-9-23-15)24(21,22)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2/t15-/m0/s1.
What are the key properties of (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine?
(2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine has a molecular weight of 384.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzenesulfonyl)-2-(4-chloro-3-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 1118518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).