2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid

C15H12N2O4S2 — CID 166219737

IUPAC2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H12N2O4S2/c18-15(19)7-10-1-4-13(5-2-10)23(20,21)17-12-3-6-14-11(8-12)9-16-22-14/h1-6,8-9,17H,7H2,(H,18,19)
InChIKeyRAKBMYXDVYMMRY-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.72
Rot. Bonds5

About 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid

2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid (PubChem CID 166219737) has the molecular formula C15H12N2O4S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid
PubChem CID166219737
Molecular FormulaC15H12N2O4S2
Molecular Weight348.41 g/mol
Exact Mass348.02
IUPAC Name2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C15H12N2O4S2/c18-15(19)7-10-1-4-13(5-2-10)23(20,21)17-12-3-6-14-11(8-12)9-16-22-14/h1-6,8-9,17H,7H2,(H,18,19)
InChIKeyRAKBMYXDVYMMRY-UHFFFAOYSA-N
XLogP2.72
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]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

2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
CID 99830867
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
N-(1,2-benzothiazol-5-yl)cyclopropanesulfonamide
CID 91662358
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid (CID 166219737) is 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1.
What is the InChIKey of 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid?
The InChIKey is RAKBMYXDVYMMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S2/c18-15(19)7-10-1-4-13(5-2-10)23(20,21)17-12-3-6-14-11(8-12)9-16-22-14/h1-6,8-9,17H,7H2,(H,18,19).
What are the key properties of 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid?
2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid has a molecular weight of 348.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-benzothiazol-5-ylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 166219737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).