2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide

C20H24ClN3O3S2 — CID 20527287

IUPAC2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C2(O)CS/C(=N\c3ccccc3)N2C)ccc1Cl
InChIInChI=1S/C20H24ClN3O3S2/c1-4-24(5-2)29(26,27)18-13-15(11-12-17(18)21)20(25)14-28-19(23(20)3)22-16-9-7-6-8-10-16/h6-13,25H,4-5,14H2,1-3H3/b22-19-
InChIKeyDJYDQDZYYNWHTC-QOCHGBHMSA-N
MW454.02 g/mol
LogP3.88
Rot. Bonds6

About 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide

2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide (PubChem CID 20527287) has the molecular formula C20H24ClN3O3S2 and a molecular weight of 454.02 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
PubChem CID20527287
Molecular FormulaC20H24ClN3O3S2
Molecular Weight454.02 g/mol
Exact Mass453.09
IUPAC Name2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C2(O)CS/C(=N\c3ccccc3)N2C)ccc1Cl
InChIInChI=1S/C20H24ClN3O3S2/c1-4-24(5-2)29(26,27)18-13-15(11-12-17(18)21)20(25)14-28-19(23(20)3)22-16-9-7-6-8-10-16/h6-13,25H,4-5,14H2,1-3H3/b22-19-
InChIKeyDJYDQDZYYNWHTC-QOCHGBHMSA-N
XLogP3.88
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide (CID 20527287) is 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C2(O)CS/C(=N\c3ccccc3)N2C)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
The InChIKey is DJYDQDZYYNWHTC-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H24ClN3O3S2/c1-4-24(5-2)29(26,27)18-13-15(11-12-17(18)21)20(25)14-28-19(23(20)3)22-16-9-7-6-8-10-16/h6-13,25H,4-5,14H2,1-3H3/b22-19-.
What are the key properties of 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide?
2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide has a molecular weight of 454.02 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 20527287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).