2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid

C9H8N2O4S2 — CID 28774217

IUPAC2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H8N2O4S2/c12-8(13)5-17(14,15)11-9-10-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyNHAPZWKKABXCDD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.12
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid

2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid (PubChem CID 28774217) has the molecular formula C9H8N2O4S2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
PubChem CID28774217
Molecular FormulaC9H8N2O4S2
Molecular Weight272.31 g/mol
Exact Mass271.99
IUPAC Name2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H8N2O4S2/c12-8(13)5-17(14,15)11-9-10-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyNHAPZWKKABXCDD-UHFFFAOYSA-N
XLogP1.12
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
2-amino-N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 24710948
N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
2-[[2-(1,3-benzothiazol-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61184328
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid (CID 28774217) is 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid?
The InChIKey is NHAPZWKKABXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S2/c12-8(13)5-17(14,15)11-9-10-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H,10,11)(H,12,13).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid?
2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid has a molecular weight of 272.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfamoyl)acetic acid is sourced from PubChem (CID 28774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).