2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

C11H15Cl2N3O3S2 — CID 22760559

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESC/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C.Cl
InChIInChI=1S/C11H14ClN3O3S2.ClH/c1-14-10-15(2)11(16,6-19-10)7-3-4-8(12)9(5-7)20(13,17)18;/h3-5,16H,6H2,1-2H3,(H2,13,17,18);1H/b14-10-;
InChIKeyQOVRODNNIXDUSR-DZOOLQPHSA-N
MW372.30 g/mol
LogP1.22
Rot. Bonds2

About 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 22760559) has the molecular formula C11H15Cl2N3O3S2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID22760559
Molecular FormulaC11H15Cl2N3O3S2
Molecular Weight372.30 g/mol
Exact Mass370.99
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESC/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C.Cl
InChIInChI=1S/C11H14ClN3O3S2.ClH/c1-14-10-15(2)11(16,6-19-10)7-3-4-8(12)9(5-7)20(13,17)18;/h3-5,16H,6H2,1-2H3,(H2,13,17,18);1H/b14-10-;
InChIKeyQOVRODNNIXDUSR-DZOOLQPHSA-N
XLogP1.22
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
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-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (CID 22760559) is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is C/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C.Cl.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is QOVRODNNIXDUSR-DZOOLQPHSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2.ClH/c1-14-10-15(2)11(16,6-19-10)7-3-4-8(12)9(5-7)20(13,17)18;/h3-5,16H,6H2,1-2H3,(H2,13,17,18);1H/b14-10-;.
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22760559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).