2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid

C19H13BrFNO5S — CID 71602807

IUPAC2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid
SMILESO=C(O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)
InChIKeyONNNBBBPFLLYHY-UHFFFAOYSA-N
MW466.28 g/mol
LogP4.88
Rot. Bonds6

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

2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid (PubChem CID 71602807) has the molecular formula C19H13BrFNO5S and a molecular weight of 466.28 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid
PubChem CID71602807
Molecular FormulaC19H13BrFNO5S
Molecular Weight466.28 g/mol
Exact Mass464.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid
SMILESO=C(O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)
InChIKeyONNNBBBPFLLYHY-UHFFFAOYSA-N
XLogP4.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
3-{4-[(4-Methoxyanilino)sulfonyl]phenoxy}benzoic acid
CID 1249025
2-Bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
CID 2408370
2-[(5-Bromo-2-thienyl)sulfonylamino]-5-phenoxy-benzoic acid
CID 71602806
2-[(4-Bromo-2-fluoro-phenyl)sulfonylamino]-4-phenoxy-benzoic acid
CID 71602853
5-(4-Methylphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 72724943
5-(3-Methylphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 72724944
5-(2-Methylphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 72724945
2-(p-Tolylsulfonylamino)-5-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 72724999
2-(p-Tolylsulfonylamino)-5-[2-(trifluoromethoxy)phenoxy]benzoic acid
CID 72725000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid (CID 71602807) is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid is O=C(O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid?
The InChIKey is ONNNBBBPFLLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid?
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid has a molecular weight of 466.28 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]-5-phenoxybenzoic acid is sourced from PubChem (CID 71602807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).