5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

C18H15NO5S2 — CID 59243027

IUPAC5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H15NO5S2/c20-18(21)15-11-14(24-12-13-5-2-1-3-6-13)8-9-16(15)19-26(22,23)17-7-4-10-25-17/h1-11,19H,12H2,(H,20,21)
InChIKeyIZZJFUQWIYDKEY-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.83
Rot. Bonds7

About 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 59243027) has the molecular formula C18H15NO5S2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID59243027
Molecular FormulaC18H15NO5S2
Molecular Weight389.45 g/mol
Exact Mass389.04
IUPAC Name5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H15NO5S2/c20-18(21)15-11-14(24-12-13-5-2-1-3-6-13)8-9-16(15)19-26(22,23)17-7-4-10-25-17/h1-11,19H,12H2,(H,20,21)
InChIKeyIZZJFUQWIYDKEY-UHFFFAOYSA-N
XLogP3.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (CID 59243027) is 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is O=C(O)c1cc(OCc2ccccc2)ccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is IZZJFUQWIYDKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S2/c20-18(21)15-11-14(24-12-13-5-2-1-3-6-13)8-9-16(15)19-26(22,23)17-7-4-10-25-17/h1-11,19H,12H2,(H,20,21).
What are the key properties of 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 389.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 59243027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).