4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid

C19H17NO6S2 — CID 68692111

IUPAC4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17NO6S2/c21-19(22)14-7-9-15(10-8-14)25-11-12-26-17-5-2-1-4-16(17)20-28(23,24)18-6-3-13-27-18/h1-10,13,20H,11-12H2,(H,21,22)
InChIKeyVANSPDGPVCWFPQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.70
Rot. Bonds9

About 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid

4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid (PubChem CID 68692111) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
PubChem CID68692111
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Name4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17NO6S2/c21-19(22)14-7-9-15(10-8-14)25-11-12-26-17-5-2-1-4-16(17)20-28(23,24)18-6-3-13-27-18/h1-10,13,20H,11-12H2,(H,21,22)
InChIKeyVANSPDGPVCWFPQ-UHFFFAOYSA-N
XLogP3.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
4-[2-[2-(benzenesulfonamido)phenoxy]ethoxy]benzoic acid
CID 68688333
4-[2-[2-[(4-chlorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68690715
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
4-[2-[2-[(3-methylphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692437
4-[2-[2-[(2,4-difluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid;4-[2-[2-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 158940968
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130
4-[2-[2-[(4-ethylbenzoyl)amino]phenoxy]ethoxy]benzoic acid;4-[2-[2-(thiophene-2-carbonylamino)phenoxy]ethoxy]benzoic acid
CID 161453027
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 38869455

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid (CID 68692111) is 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid is O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The InChIKey is VANSPDGPVCWFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c21-19(22)14-7-9-15(10-8-14)25-11-12-26-17-5-2-1-4-16(17)20-28(23,24)18-6-3-13-27-18/h1-10,13,20H,11-12H2,(H,21,22).
What are the key properties of 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid has a molecular weight of 419.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid is sourced from PubChem (CID 68692111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).