2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid

C19H14BrNO5S — CID 2408370

IUPAC2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)ccc1Br
InChIInChI=1S/C19H14BrNO5S/c20-18-10-9-16(12-17(18)19(22)23)27(24,25)21-13-5-4-8-15(11-13)26-14-6-2-1-3-7-14/h1-12,21H,(H,22,23)
InChIKeyVREWUUJDYBREOE-UHFFFAOYSA-N
MW448.29 g/mol
LogP4.74
Rot. Bonds6

About 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid

2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2408370) has the molecular formula C19H14BrNO5S and a molecular weight of 448.29 g/mol. Its IUPAC name is 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2408370
Molecular FormulaC19H14BrNO5S
Molecular Weight448.29 g/mol
Exact Mass446.98
IUPAC Name2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)ccc1Br
InChIInChI=1S/C19H14BrNO5S/c20-18-10-9-16(12-17(18)19(22)23)27(24,25)21-13-5-4-8-15(11-13)26-14-6-2-1-3-7-14/h1-12,21H,(H,22,23)
InChIKeyVREWUUJDYBREOE-UHFFFAOYSA-N
XLogP4.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.29
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Bromo-2-Fluorophenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71602807
2-[(4-Bromo-2-fluoro-phenyl)sulfonylamino]-4-phenoxy-benzoic acid
CID 71602853
3-[(4-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2442655
3-[[4-(4-Methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2564859
3-[(2-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2466116
2-Bromo-5-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
CID 16309186
2-(Benzenesulfonamido)-5-(3-bromophenoxy)benzoic acid
CID 145989053
3-[(3-Bromo-4-ethoxyphenyl)sulfamoyl]benzoic acid
CID 2357245
4-Bromo-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 1081916
2-{[(4-Bromo-3-methoxyphenyl)sulfonyl]amino}benzoic acid
CID 15944070
2-(4-Bromo-3-ethoxybenzenesulfonamido)benzoic acid
CID 16004595

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid (CID 2408370) is 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)ccc1Br.
What is the InChIKey of 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is VREWUUJDYBREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO5S/c20-18-10-9-16(12-17(18)19(22)23)27(24,25)21-13-5-4-8-15(11-13)26-14-6-2-1-3-7-14/h1-12,21H,(H,22,23).
What are the key properties of 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid?
2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 448.29 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-phenoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2408370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).