4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid

C20H17NO5S — CID 4854241

IUPAC4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H17NO5S/c1-14-2-8-17(9-3-14)26-18-10-12-19(13-11-18)27(24,25)21-16-6-4-15(5-7-16)20(22)23/h2-13,21H,1H3,(H,22,23)
InChIKeyXIBBDHXCILZOTH-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.29
Rot. Bonds6

About 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid

4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid (PubChem CID 4854241) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid
PubChem CID4854241
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H17NO5S/c1-14-2-8-17(9-3-14)26-18-10-12-19(13-11-18)27(24,25)21-16-6-4-15(5-7-16)20(22)23/h2-13,21H,1H3,(H,22,23)
InChIKeyXIBBDHXCILZOTH-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate
CID 127139
4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
N-(4-(3-(4-hydroxyphenyl)acryloyl)phenyl)-4-methylbenzenesulfonamide
CID 24757213
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
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
CID 71300317
Benzeneacetic acid, 4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-, methanesulfonate (1:1)
CID 130394
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
4-(N-(2-acetylphenyl)sulfamoyl)phenyl pivalate
CID 118202506

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid (CID 4854241) is 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid is Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid?
The InChIKey is XIBBDHXCILZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-14-2-8-17(9-3-14)26-18-10-12-19(13-11-18)27(24,25)21-16-6-4-15(5-7-16)20(22)23/h2-13,21H,1H3,(H,22,23).
What are the key properties of 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid?
4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid has a molecular weight of 383.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenoxy)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 4854241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).