4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid

C20H17NO6S — CID 2383120

IUPAC4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO6S/c1-26-18-12-7-14(20(22)23)13-19(18)28(24,25)21-15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13,21H,1H3,(H,22,23)
InChIKeyJSNXAJFYWNGJLJ-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.99
Rot. Bonds7

About 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid

4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2383120) has the molecular formula C20H17NO6S and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2383120
Molecular FormulaC20H17NO6S
Molecular Weight399.42 g/mol
Exact Mass399.08
IUPAC Name4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H17NO6S/c1-26-18-12-7-14(20(22)23)13-19(18)28(24,25)21-15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13,21H,1H3,(H,22,23)
InChIKeyJSNXAJFYWNGJLJ-UHFFFAOYSA-N
XLogP3.99
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
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
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
3-[(4-Methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5099598
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
2-(3-(4-Carbamoyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486044

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid (CID 2383120) is 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is JSNXAJFYWNGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6S/c1-26-18-12-7-14(20(22)23)13-19(18)28(24,25)21-15-8-10-17(11-9-15)27-16-5-3-2-4-6-16/h2-13,21H,1H3,(H,22,23).
What are the key properties of 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 399.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2383120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).