2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid

C14H12BrNO5S — CID 15944070

IUPAC2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br
InChIInChI=1S/C14H12BrNO5S/c1-21-13-8-9(6-7-11(13)15)22(19,20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyZSWVJIFHGFSXLC-UHFFFAOYSA-N
MW386.22 g/mol
LogP2.96
Rot. Bonds5

About 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid

2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 15944070) has the molecular formula C14H12BrNO5S and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid
PubChem CID15944070
Molecular FormulaC14H12BrNO5S
Molecular Weight386.22 g/mol
Exact Mass384.96
IUPAC Name2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br
InChIInChI=1S/C14H12BrNO5S/c1-21-13-8-9(6-7-11(13)15)22(19,20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyZSWVJIFHGFSXLC-UHFFFAOYSA-N
XLogP2.96
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
2-{[(4-Bromo-2-Fluorophenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71602807
2-(((4-Bromophenyl)sulfonyl)amino)benzoic acid
CID 39852
Methyl 2-{[(3-fluoro-4-methoxyphenyl)sulfonyl]amino}benzoate
CID 6473058
Ethyl 2-{[(4-methoxyphenyl)sulfonyl]amino}benzoate
CID 771992
2-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}benzoic acid
CID 898080
2-Bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
CID 2408370
2-[[3-[(5-Bromo-2-ethoxyphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
CID 5243585
2-Bromo-5-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
CID 16309186
2-(Benzenesulfonamido)-5-(3-bromophenoxy)benzoic acid
CID 145989053
2-[(4-Bromo-5-tert-butyl-2-methoxyphenyl)sulfonylamino]benzoic acid
CID 168273957
2-(4-Methoxy-benzenesulfonylamino)-benzoic acid
CID 362839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid (CID 15944070) is 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid is COc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is ZSWVJIFHGFSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO5S/c1-21-13-8-9(6-7-11(13)15)22(19,20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid?
2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 386.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).