2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide

C15H22BrClN4O3S2 — CID 70618073

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
SMILESBr.CN1C(=NN2CCCCC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H21ClN4O3S2.BrH/c1-19-14(18-20-7-3-2-4-8-20)24-10-15(19,21)11-5-6-12(16)13(9-11)25(17,22)23;/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,17,22,23);1H
InChIKeyADEABHNPKVAWNL-UHFFFAOYSA-N
MW485.86 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide

2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide (PubChem CID 70618073) has the molecular formula C15H22BrClN4O3S2 and a molecular weight of 485.86 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
PubChem CID70618073
Molecular FormulaC15H22BrClN4O3S2
Molecular Weight485.86 g/mol
Exact Mass484.00
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
SMILESBr.CN1C(=NN2CCCCC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H21ClN4O3S2.BrH/c1-19-14(18-20-7-3-2-4-8-20)24-10-15(19,21)11-5-6-12(16)13(9-11)25(17,22)23;/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,17,22,23);1H
InChIKeyADEABHNPKVAWNL-UHFFFAOYSA-N
XLogP2.15
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.86
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756390
(Z)-but-2-enedioate;2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 131710962
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
2-chloro-5-(3-ethyl-4-hydroxy-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 162310188
2-chloro-5-(3-hexyl-2-hexylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760537
dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium chloride
CID 21316715
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
CID 22760454
2-chloro-5-[4-hydroxy-3-(2-methylpropyl)-2-(2-methylpropylimino)-1,3-thiazolidin-4-yl]benzenesulfonamide;hydrochloride
CID 22760584
2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760653
2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22760470
2-chloro-5-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756385
2-chloro-5-[2-(4-chloro-2-methoxyphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
CID 70532237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide (CID 70618073) is 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide is Br.CN1C(=NN2CCCCC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide?
The InChIKey is ADEABHNPKVAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O3S2.BrH/c1-19-14(18-20-7-3-2-4-8-20)24-10-15(19,21)11-5-6-12(16)13(9-11)25(17,22)23;/h5-6,9,21H,2-4,7-8,10H2,1H3,(H2,17,22,23);1H.
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide?
2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide has a molecular weight of 485.86 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide is sourced from PubChem (CID 70618073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).