3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid

C14H20N4O4S2 — CID 3112808

IUPAC3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)O)cc1
InChIInChI=1S/C14H20N4O4S2/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20)/b16-15+
InChIKeyHVTGWLSYXUIULO-FOCLMDBBSA-N
MW372.47 g/mol
LogP2.18
Rot. Bonds7

About 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid

3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid (PubChem CID 3112808) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
PubChem CID3112808
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)O)cc1
InChIInChI=1S/C14H20N4O4S2/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20)/b16-15+
InChIKeyHVTGWLSYXUIULO-FOCLMDBBSA-N
XLogP2.18
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 7374755
potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 23711880
(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 799925
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057
(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
CID 6930227
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167553021
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217272
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
CID 18411977
2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid
CID 71092624

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid (CID 3112808) is 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid is CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)O)cc1.
What is the InChIKey of 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is HVTGWLSYXUIULO-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20)/b16-15+.
What are the key properties of 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid?
3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 3112808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).