2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

C19H22BrCl2N3O4S2 — CID 70532237

IUPAC2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.COc1cc(Cl)ccc1/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N1C
InChIInChI=1S/C19H21Cl2N3O4S2.BrH/c1-23(2)30(26,27)17-9-12(5-7-14(17)21)19(25)11-29-18(24(19)3)22-15-8-6-13(20)10-16(15)28-4;/h5-10,25H,11H2,1-4H3;1H/b22-18-;
InChIKeySDBPRPPYDRXZSG-QNCGTCMPSA-N
MW571.35 g/mol
LogP4.34
Rot. Bonds5

About 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (PubChem CID 70532237) has the molecular formula C19H22BrCl2N3O4S2 and a molecular weight of 571.35 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
PubChem CID70532237
Molecular FormulaC19H22BrCl2N3O4S2
Molecular Weight571.35 g/mol
Exact Mass568.96
IUPAC Name2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.COc1cc(Cl)ccc1/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N1C
InChIInChI=1S/C19H21Cl2N3O4S2.BrH/c1-23(2)30(26,27)17-9-12(5-7-14(17)21)19(25)11-29-18(24(19)3)22-15-8-6-13(20)10-16(15)28-4;/h5-10,25H,11H2,1-4H3;1H/b22-18-;
InChIKeySDBPRPPYDRXZSG-QNCGTCMPSA-N
XLogP4.34
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.35
LogP ≤ 54.34
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 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The IUPAC name of 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (CID 70532237) is 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.
What is the SMILES notation for 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The canonical SMILES for 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is Br.COc1cc(Cl)ccc1/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N1C.
What is the InChIKey of 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The InChIKey is SDBPRPPYDRXZSG-QNCGTCMPSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S2.BrH/c1-23(2)30(26,27)17-9-12(5-7-14(17)21)19(25)11-29-18(24(19)3)22-15-8-6-13(20)10-16(15)28-4;/h5-10,25H,11H2,1-4H3;1H/b22-18-;.
What are the key properties of 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide has a molecular weight of 571.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is sourced from PubChem (CID 70532237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).