2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid

C12H12N2O4S2 — CID 66374307

IUPAC2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O4S2/c15-12(16)10-8-19-11(14-10)6-7-13-20(17,18)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,15,16)
InChIKeyQETMCHQDBRIDSH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374307) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374307
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O4S2/c15-12(16)10-8-19-11(14-10)6-7-13-20(17,18)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,15,16)
InChIKeyQETMCHQDBRIDSH-UHFFFAOYSA-N
XLogP1.36
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
2-[2-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840390
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
2-[[(3-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379524
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-[2-(2-carbamoylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373956
2-[2-(3-aminopropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374025
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374307) is 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QETMCHQDBRIDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c15-12(16)10-8-19-11(14-10)6-7-13-20(17,18)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,15,16).
What are the key properties of 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).