4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid

C20H17NO5S — CID 2444051

IUPAC4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H17NO5S/c1-26-18-12-11-15(20(22)23)13-19(18)27(24,25)21-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,22,23)
InChIKeyJQKLSCFSGCGTRL-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.86
Rot. Bonds6

About 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid

4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid (PubChem CID 2444051) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
PubChem CID2444051
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H17NO5S/c1-26-18-12-11-15(20(22)23)13-19(18)27(24,25)21-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,22,23)
InChIKeyJQKLSCFSGCGTRL-UHFFFAOYSA-N
XLogP3.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
4-Methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2385964
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
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
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
2-(3-(4-Acetyl-2-(phenylsulfonamido)phenoxy)phenyl)acetic acid
CID 45486095
2-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}benzoic acid
CID 898080
Methyl 4-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}benzoate
CID 967912
4-Methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid
CID 2386022

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid (CID 2444051) is 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The InChIKey is JQKLSCFSGCGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-26-18-12-11-15(20(22)23)13-19(18)27(24,25)21-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,22,23).
What are the key properties of 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid has a molecular weight of 383.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2444051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).