3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H13N3O5S2 — CID 61185499

IUPAC3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CSCC2C(=O)O)cc1
InChIInChI=1S/C11H13N3O5S2/c12-21(18,19)8-3-1-7(2-4-8)13-11(17)14-6-20-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeyUVBYSHGNZNXZEF-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.33
Rot. Bonds3

About 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61185499) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61185499
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CSCC2C(=O)O)cc1
InChIInChI=1S/C11H13N3O5S2/c12-21(18,19)8-3-1-7(2-4-8)13-11(17)14-6-20-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeyUVBYSHGNZNXZEF-UHFFFAOYSA-N
XLogP0.33
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114222520
3-[(4-ethoxy-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103996501
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328
3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62781800
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423

Frequently Asked Questions

What is the IUPAC name of 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61185499) is 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)N2CSCC2C(=O)O)cc1.
What is the InChIKey of 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UVBYSHGNZNXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c12-21(18,19)8-3-1-7(2-4-8)13-11(17)14-6-20-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H2,12,18,19).
What are the key properties of 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61185499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).