3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid

C19H15NO5S — CID 2466116

IUPAC3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-7-6-10-16(13-14)26(23,24)20-17-11-4-5-12-18(17)25-15-8-2-1-3-9-15/h1-13,20H,(H,21,22)
InChIKeyUYNSUGAJQOSUAI-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds6

About 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid

3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2466116) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2466116
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C19H15NO5S/c21-19(22)14-7-6-10-16(13-14)26(23,24)20-17-11-4-5-12-18(17)25-15-8-2-1-3-9-15/h1-13,20H,(H,21,22)
InChIKeyUYNSUGAJQOSUAI-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

4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3,5-Bis(4-ethoxybenzenesulfonamido)benzoic acid
CID 2390814
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
Ethyl 4-[[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 5019635
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
4-{[(2-Methoxyphenyl)amino]sulfonyl}benzamide
CID 2098777
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
2-(3-(4-Carbamoyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486044
2-(3-(4-Acetyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486095

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid (CID 2466116) is 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is UYNSUGAJQOSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-19(22)14-7-6-10-16(13-14)26(23,24)20-17-11-4-5-12-18(17)25-15-8-2-1-3-9-15/h1-13,20H,(H,21,22).
What are the key properties of 3-[(2-phenoxyphenyl)sulfamoyl]benzoic acid?
3-[(2-phenoxyphenyl)sulfamoyl]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-[(2-phenoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2466116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).