2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid

C27H26N2O4S — CID 11525761

IUPAC2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H26N2O4S/c30-27(31)23-16-6-4-11-20(23)10-2-1-3-12-21-13-5-7-17-24(21)29-34(32,33)25-18-8-14-22-15-9-19-28-26(22)25/h4-9,11,13-19,29H,1-3,10,12H2,(H,30,31)
InChIKeyAWBHZCHRVFUYEN-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.69
Rot. Bonds10

About 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid

2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid (PubChem CID 11525761) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid.

Molecular Properties

Compound Name2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
PubChem CID11525761
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H26N2O4S/c30-27(31)23-16-6-4-11-20(23)10-2-1-3-12-21-13-5-7-17-24(21)29-34(32,33)25-18-8-14-22-15-9-19-28-26(22)25/h4-9,11,13-19,29H,1-3,10,12H2,(H,30,31)
InChIKeyAWBHZCHRVFUYEN-UHFFFAOYSA-N
XLogP5.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(naphthalen-1-ylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691994
2-[5-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pentyl]benzoic acid
CID 68691951
2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691483
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274
N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 12020675
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
2-[5-[2-[(3-methoxyphenyl)sulfonylamino]phenyl]pentyl]benzoic acid
CID 68689980
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-[5-[2-(benzenesulfonamido)phenyl]pentyl]benzoic acid;2-[5-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]pentyl]benzoic acid;2-[5-[2-(naphthalen-2-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 161441001
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
CID 140579955
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid?
The IUPAC name of 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid (CID 11525761) is 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid.
What is the SMILES notation for 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid?
The canonical SMILES for 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid is O=C(O)c1ccccc1CCCCCc1ccccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid?
The InChIKey is AWBHZCHRVFUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c30-27(31)23-16-6-4-11-20(23)10-2-1-3-12-21-13-5-7-17-24(21)29-34(32,33)25-18-8-14-22-15-9-19-28-26(22)25/h4-9,11,13-19,29H,1-3,10,12H2,(H,30,31).
What are the key properties of 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid?
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid has a molecular weight of 474.58 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid is sourced from PubChem (CID 11525761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).