4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol

C20H22ClN3O4S2 — CID 20527198

IUPAC4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol
SMILESCN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O4S2/c1-23-19(22-16-5-3-2-4-6-16)29-14-20(23,25)15-7-8-17(21)18(13-15)30(26,27)24-9-11-28-12-10-24/h2-8,13,25H,9-12,14H2,1H3/b22-19-
InChIKeyUCNVRCKSAPCAOD-QOCHGBHMSA-N
MW468.00 g/mol
LogP2.87
Rot. Bonds4

About 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol

4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol (PubChem CID 20527198) has the molecular formula C20H22ClN3O4S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol
PubChem CID20527198
Molecular FormulaC20H22ClN3O4S2
Molecular Weight468.00 g/mol
Exact Mass467.07
IUPAC Name4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol
SMILESCN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O4S2/c1-23-19(22-16-5-3-2-4-6-16)29-14-20(23,25)15-7-8-17(21)18(13-15)30(26,27)24-9-11-28-12-10-24/h2-8,13,25H,9-12,14H2,1H3/b22-19-
InChIKeyUCNVRCKSAPCAOD-QOCHGBHMSA-N
XLogP2.87
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol (CID 20527198) is 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol is CN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol?
The InChIKey is UCNVRCKSAPCAOD-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H22ClN3O4S2/c1-23-19(22-16-5-3-2-4-6-16)29-14-20(23,25)15-7-8-17(21)18(13-15)30(26,27)24-9-11-28-12-10-24/h2-8,13,25H,9-12,14H2,1H3/b22-19-.
What are the key properties of 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol?
4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol has a molecular weight of 468.00 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 20527198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).