2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide

C15H18ClN3O3S2 — CID 22760470

IUPAC2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESC=CCN1/C(=N/C2CC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H18ClN3O3S2/c1-2-7-19-14(18-11-4-5-11)23-9-15(19,20)10-3-6-12(16)13(8-10)24(17,21)22/h2-3,6,8,11,20H,1,4-5,7,9H2,(H2,17,21,22)/b18-14-
InChIKeyQJDFJYSCXYJPTG-JXAWBTAJSA-N
MW387.91 g/mol
LogP1.89
Rot. Bonds5

About 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide

2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide (PubChem CID 22760470) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
PubChem CID22760470
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
SMILESC=CCN1/C(=N/C2CC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H18ClN3O3S2/c1-2-7-19-14(18-11-4-5-11)23-9-15(19,20)10-3-6-12(16)13(8-10)24(17,21)22/h2-3,6,8,11,20H,1,4-5,7,9H2,(H2,17,21,22)/b18-14-
InChIKeyQJDFJYSCXYJPTG-JXAWBTAJSA-N
XLogP1.89
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756385
2-chloro-5-(3-ethyl-4-hydroxy-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 162310188
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-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
2-chloro-5-(3-hexyl-2-hexylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760537
2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 70618073
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
dibutyl-[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]azanium chloride
CID 21316715
2-bromo-5-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22760570
2,3-dichloro-5-(4-hydroxy-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 21394801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide (CID 22760470) is 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide is C=CCN1/C(=N/C2CC2)SCC1(O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide?
The InChIKey is QJDFJYSCXYJPTG-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c1-2-7-19-14(18-11-4-5-11)23-9-15(19,20)10-3-6-12(16)13(8-10)24(17,21)22/h2-3,6,8,11,20H,1,4-5,7,9H2,(H2,17,21,22)/b18-14-.
What are the key properties of 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide?
2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide has a molecular weight of 387.91 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 22760470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).