2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid

C20H17NO5S — CID 71300316

IUPAC2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKeyKFQWZEYUSVKRBI-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.29
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid

2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid (PubChem CID 71300316) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid
PubChem CID71300316
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKeyKFQWZEYUSVKRBI-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid (CID 71300316) is 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid?
The InChIKey is KFQWZEYUSVKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid?
2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic 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 2-[(4-methylphenyl)sulfonylamino]-5-phenoxybenzoic acid is sourced from PubChem (CID 71300316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).