3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid

C15H12N2O4S2 — CID 166210715

IUPAC3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNS(=O)(=O)c2cnc3ccsc3c2)c1
InChIInChI=1S/C15H12N2O4S2/c18-15(19)11-3-1-2-10(6-11)8-17-23(20,21)12-7-14-13(16-9-12)4-5-22-14/h1-7,9,17H,8H2,(H,18,19)
InChIKeyIWVLOWIXZVWVGO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.47
Rot. Bonds5

About 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid

3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid (PubChem CID 166210715) has the molecular formula C15H12N2O4S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid
PubChem CID166210715
Molecular FormulaC15H12N2O4S2
Molecular Weight348.41 g/mol
Exact Mass348.02
IUPAC Name3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNS(=O)(=O)c2cnc3ccsc3c2)c1
InChIInChI=1S/C15H12N2O4S2/c18-15(19)11-3-1-2-10(6-11)8-17-23(20,21)12-7-14-13(16-9-12)4-5-22-14/h1-7,9,17H,8H2,(H,18,19)
InChIKeyIWVLOWIXZVWVGO-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]benzoic acid
CID 104538249
3-[[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]methyl]benzoic acid
CID 167966038
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-[[(2-amino-5-chloro-3-pyridinyl)sulfonylamino]methyl]benzoic acid
CID 166210716
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 60911333
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
N-(1-acetylcyclopropyl)thieno[3,2-b]pyridine-6-sulfonamide
CID 126840774
3-[[(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoic acid
CID 108783656
3-[(1-benzothiophen-5-ylamino)methyl]benzoic acid
CID 103252357
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoylmethyl]benzoic acid
CID 63280975

Frequently Asked Questions

What is the IUPAC name of 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid?
The IUPAC name of 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid (CID 166210715) is 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid is O=C(O)c1cccc(CNS(=O)(=O)c2cnc3ccsc3c2)c1.
What is the InChIKey of 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid?
The InChIKey is IWVLOWIXZVWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S2/c18-15(19)11-3-1-2-10(6-11)8-17-23(20,21)12-7-14-13(16-9-12)4-5-22-14/h1-7,9,17H,8H2,(H,18,19).
What are the key properties of 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid?
3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid has a molecular weight of 348.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thieno[3,2-b]pyridin-6-ylsulfonylamino)methyl]benzoic acid is sourced from PubChem (CID 166210715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).