2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide

C10H11N3O4S2 — CID 61131241

IUPAC2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C10H11N3O4S2/c11-19(16,17)7-3-1-2-6(4-7)12-9(14)8-5-18-10(15)13-8/h1-4,8H,5H2,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyQKGJGLNXGQYFPN-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.10
Rot. Bonds3

About 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide

2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61131241) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61131241
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C10H11N3O4S2/c11-19(16,17)7-3-1-2-6(4-7)12-9(14)8-5-18-10(15)13-8/h1-4,8H,5H2,(H,12,14)(H,13,15)(H2,11,16,17)
InChIKeyQKGJGLNXGQYFPN-UHFFFAOYSA-N
XLogP0.10
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 55177452
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 63101675
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 82885183

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide (CID 61131241) is 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CSC(=O)N2)c1.
What is the InChIKey of 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QKGJGLNXGQYFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c11-19(16,17)7-3-1-2-6(4-7)12-9(14)8-5-18-10(15)13-8/h1-4,8H,5H2,(H,12,14)(H,13,15)(H2,11,16,17).
What are the key properties of 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide?
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61131241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).