2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide

C15H21Cl2N3O3S2 — CID 21394801

IUPAC2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCC(C)/N=C1\SCC(O)(c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)N1C(C)C
InChIInChI=1S/C15H21Cl2N3O3S2/c1-8(2)19-14-20(9(3)4)15(21,7-24-14)10-5-11(16)13(17)12(6-10)25(18,22)23/h5-6,8-9,21H,7H2,1-4H3,(H2,18,22,23)/b19-14-
InChIKeySTNCOLSUXDTDIS-RGEXLXHISA-N
MW426.39 g/mol
LogP3.01
Rot. Bonds4

About 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide

2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide (PubChem CID 21394801) has the molecular formula C15H21Cl2N3O3S2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
PubChem CID21394801
Molecular FormulaC15H21Cl2N3O3S2
Molecular Weight426.39 g/mol
Exact Mass425.04
IUPAC Name2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCC(C)/N=C1\SCC(O)(c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)N1C(C)C
InChIInChI=1S/C15H21Cl2N3O3S2/c1-8(2)19-14-20(9(3)4)15(21,7-24-14)10-5-11(16)13(17)12(6-10)25(18,22)23/h5-6,8-9,21H,7H2,1-4H3,(H2,18,22,23)/b19-14-
InChIKeySTNCOLSUXDTDIS-RGEXLXHISA-N
XLogP3.01
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide (CID 21394801) is 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide is CC(C)/N=C1\SCC(O)(c2cc(Cl)c(Cl)c(S(N)(=O)=O)c2)N1C(C)C.
What is the InChIKey of 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The InChIKey is STNCOLSUXDTDIS-RGEXLXHISA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S2/c1-8(2)19-14-20(9(3)4)15(21,7-24-14)10-5-11(16)13(17)12(6-10)25(18,22)23/h5-6,8-9,21H,7H2,1-4H3,(H2,18,22,23)/b19-14-.
What are the key properties of 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide has a molecular weight of 426.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 21394801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).