2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride

C17H27Cl2N3O3S2 — CID 22760584

IUPAC2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCC(C)C/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC(C)C.Cl
InChIInChI=1S/C17H26ClN3O3S2.ClH/c1-11(2)8-20-16-21(9-12(3)4)17(22,10-25-16)13-5-6-14(18)15(7-13)26(19,23)24;/h5-7,11-12,22H,8-10H2,1-4H3,(H2,19,23,24);1H/b20-16-;
InChIKeyZPTGEMXGNPLVCB-LRZQPWDCSA-N
MW456.46 g/mol
LogP3.27
Rot. Bonds6

About 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride

2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 22760584) has the molecular formula C17H27Cl2N3O3S2 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID22760584
Molecular FormulaC17H27Cl2N3O3S2
Molecular Weight456.46 g/mol
Exact Mass455.09
IUPAC Name2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCC(C)C/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC(C)C.Cl
InChIInChI=1S/C17H26ClN3O3S2.ClH/c1-11(2)8-20-16-21(9-12(3)4)17(22,10-25-16)13-5-6-14(18)15(7-13)26(19,23)24;/h5-7,11-12,22H,8-10H2,1-4H3,(H2,19,23,24);1H/b20-16-;
InChIKeyZPTGEMXGNPLVCB-LRZQPWDCSA-N
XLogP3.27
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 53.27
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-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride (CID 22760584) is 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride is CC(C)C/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC(C)C.Cl.
What is the InChIKey of 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is ZPTGEMXGNPLVCB-LRZQPWDCSA-N. The full InChI is InChI=1S/C17H26ClN3O3S2.ClH/c1-11(2)8-20-16-21(9-12(3)4)17(22,10-25-16)13-5-6-14(18)15(7-13)26(19,23)24;/h5-7,11-12,22H,8-10H2,1-4H3,(H2,19,23,24);1H/b20-16-;.
What are the key properties of 2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride?
2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 456.46 g/mol, XLogP of 3.27, 6 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-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22760584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).