2-(benzenesulfonamido)-4-phenoxybenzoic acid

C19H15NO5S — CID 67344025

IUPAC2-(benzenesulfonamido)-4-phenoxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15NO5S/c21-19(22)17-12-11-15(25-14-7-3-1-4-8-14)13-18(17)20-26(23,24)16-9-5-2-6-10-16/h1-13,20H,(H,21,22)
InChIKeyALSHIBNQEOKSFU-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds6

About 2-(benzenesulfonamido)-4-phenoxybenzoic acid

2-(benzenesulfonamido)-4-phenoxybenzoic acid (PubChem CID 67344025) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-phenoxybenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-phenoxybenzoic acid
PubChem CID67344025
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name2-(benzenesulfonamido)-4-phenoxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15NO5S/c21-19(22)17-12-11-15(25-14-7-3-1-4-8-14)13-18(17)20-26(23,24)16-9-5-2-6-10-16/h1-13,20H,(H,21,22)
InChIKeyALSHIBNQEOKSFU-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-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
CID 71300317
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
2-{[(4-Fluorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239984
2-(3-(4-Carbamoyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486044
2-(3-(4-Acetyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486095
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
2-(4-Ethoxybenzenesulfonamido)-4,5-dimethoxybenzoic acid
CID 2082583
Ethyl 2-{[(4-ethoxyphenyl)sulfonyl]amino}benzoate
CID 894308
2-Bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
CID 2408370
4-Methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 2444051

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-phenoxybenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-4-phenoxybenzoic acid (CID 67344025) is 2-(benzenesulfonamido)-4-phenoxybenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-4-phenoxybenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-4-phenoxybenzoic acid is O=C(O)c1ccc(Oc2ccccc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-4-phenoxybenzoic acid?
The InChIKey is ALSHIBNQEOKSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-19(22)17-12-11-15(25-14-7-3-1-4-8-14)13-18(17)20-26(23,24)16-9-5-2-6-10-16/h1-13,20H,(H,21,22).
What are the key properties of 2-(benzenesulfonamido)-4-phenoxybenzoic acid?
2-(benzenesulfonamido)-4-phenoxybenzoic 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 2-(benzenesulfonamido)-4-phenoxybenzoic acid is sourced from PubChem (CID 67344025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).