3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid

C19H15NO5S — CID 44669190

IUPAC3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-5-4-6-15(13-14)20-26(23,24)18-11-9-17(10-12-18)25-16-7-2-1-3-8-16/h1-13,20H,(H,21,22)
InChIKeySPZKWFKFIZRLDD-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds6

About 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid

3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 44669190) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
PubChem CID44669190
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-5-4-6-15(13-14)20-26(23,24)18-11-9-17(10-12-18)25-16-7-2-1-3-8-16/h1-13,20H,(H,21,22)
InChIKeySPZKWFKFIZRLDD-UHFFFAOYSA-N
XLogP3.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-nitrophenoxy)phenyl]sulfonylamino]benzoic acid
CID 1116085
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid (CID 44669190) is 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is SPZKWFKFIZRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-19(22)14-5-4-6-15(13-14)20-26(23,24)18-11-9-17(10-12-18)25-16-7-2-1-3-8-16/h1-13,20H,(H,21,22).
What are the key properties of 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid?
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 369.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 44669190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).